Kurt Mereiter
Research interests
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InterestsMaterial Chemistry, Crystal Structure, Crystal Growth, X-ray Crystallography, Crystal Engineering, Polymorphism, X-Ray Powder Diffraction
Publications
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0.41Impact points
(3β,18β,20β)-N-Eth-oxy-carbonyl-methyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate.
Acta crystallographica. Section E, Structure reports online. 04/2012; 68(Pt 4):o1229-30.
The title compound, C(34)H(52)N(2)O(7)·CH(4)O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a penta-cyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conforma... [more] The title compound, C(34)H(52)N(2)O(7)·CH(4)O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a penta-cyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring in a half-chair conformation. This moiety is substituted by a nitrate ester group and an O-ethyl-glycine group. In the crystal, the nonsolvent mol-ecules are packed parallel to (010) in a herringbone fashion with the nitrato, ethyl-glycine and methanol-O atom being proximate. The methanol solvent mol-ecule is anchored via a donated O-H⋯O(ac-yl) and an accepted N-H⋯O hydrogen bond, giving rise to infinite zigzag chains of hydrogen bonds parallel to [100]. Two weak intermolecular C-H⋯O interactions to the methanol and to an acyl oxygen establish links along [100] and [010], respectively.
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0.41Impact points
Tris(acetonitrile-κN){2,6-bis-[(diphenyl-phosphan-yl)amino]-4-eth-oxy-1,3,5-triazine-κP,N,P'}iron(II) bis-(tetra-fluorido-borate) acetonitrile disolvate.
Acta crystallographica. Section E, Structure reports online. 12/2011; 67(Pt 12):m1842-3.
In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa-hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth-oxy-1,3,5-triazine and by three acetonitrile mol-ecules. The four Fe-N bond length... [more] In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa-hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth-oxy-1,3,5-triazine and by three acetonitrile mol-ecules. The four Fe-N bond lengths range from 1.9142 (12) to 1.9579 (11) Å, while the Fe-P bonds are 2.2452 (4) and 2.2506 (4) Å [P-Fe-P = 165.523 (14)°], consistent with Fe(II) in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diamino-pyridine, the BF(4) anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion-π inter-actions with the triazine ring and acetonitrile mol-ecules in addition to ten C-H⋯F inter-actions. Most remarkable among these is an anion-π(triazine) inter-action with a short distance of 2.788 (2) Å between one F and the centroid of the π-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750 (2) Å. The two NH groups of the pincer ligand donate N-H⋯N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile mol-ecule. This last mol-ecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C⋯N distances of 3.467 (2) and 3.569 (2) Å. In contrast to several related compounds with diamino-pyridine- instead of diamino-triazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diamino-triazine moiety exerts notable crystal structure stabilizing effects.
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0.41Impact points
{(R,S(Fc),S(Fc))-2''-Bromo-2-[1-(dimethyl-amino)-ethyl-κN]-1,1''-biferrocene}trihydridoboron.
Acta crystallographica. Section E, Structure reports online. 12/2011; 67(Pt 12):m1806-7.
The title structure, [Fe(2)(C(5)H(5))(2)(C(14)H(19)BBrN)], contains a chiral and asymmetrically 2,2''-disubstituted biferrocene designed as precursor for enanti-oselective non-C(2)-symmetric biferrocenyldiphosphine catalysts. The mean bond lengths in the biferrocene unit are Fe-C = 2.048 (10... [more] The title structure, [Fe(2)(C(5)H(5))(2)(C(14)H(19)BBrN)], contains a chiral and asymmetrically 2,2''-disubstituted biferrocene designed as precursor for enanti-oselective non-C(2)-symmetric biferrocenyldiphosphine catalysts. The mean bond lengths in the biferrocene unit are Fe-C = 2.048 (10) Å and C-C = 1.427 (8) Å within the cyclo-penta-dienyl rings. The B-N bond lengths of the BH(3) protected amine is 1.631 (3) Å. The inter-planar angle between the two connected cyclo-penta-dienyl rings is 54.29 (8)° and the corresponding Fe-Cg-Cg-Fe torsion angle is -52.5°. The conformation of the mol-ecule is stabilized by an intra-molecular C-H⋯Br inter-action.
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3.27Impact points
Nonradiative deactivation of europium(III) luminescence as a detection scheme for moisture.
The Analyst. 11/2011; 137(3):563-6.
The nonradiative deactivation of the excited state of europium(III)-based phosphors via OH-vibrations in the presence of water allows the detection of moisture in nitrogen at concentration levels down to at least 25 ppm (0.09% RH).... [more] The nonradiative deactivation of the excited state of europium(III)-based phosphors via OH-vibrations in the presence of water allows the detection of moisture in nitrogen at concentration levels down to at least 25 ppm (0.09% RH).
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0.41Impact points
Propargylaminyl 3α-hy-droxy-11-oxo-18β-olean-12-en-29-oate.
Acta crystallographica. Section E, Structure reports online. 11/2011; 67(Pt 11):o3052-3.
The title compound, C(33)H(49)NO(3), is the propargyl-amide of 18β-glycyrrhetinic acid, a penta-cyclic triterpenoid of inter-est as a therapeutic agent. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ri... [more] The title compound, C(33)H(49)NO(3), is the propargyl-amide of 18β-glycyrrhetinic acid, a penta-cyclic triterpenoid of inter-est as a therapeutic agent. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring C in a half-chair conformation. In the crystal, the terminal N-propargylcarboxamide group has remarkable structural effects on weak hydrogen-bond-like inter-actions. Particularly noteworthy are an inter-molecular O-H⋯π inter-action accepted side-on by the terminal alkyne group [O⋯C = 3.097 (2) and 3.356 (2) Å] and a short inter-molecular C-H⋯O inter-action [C⋯O = 3.115 (2) Å] donated by the alkyne C-H group. An N-H⋯O [N⋯O = 3.251 (2) Å] and a C(alkyl)-H⋯O [C⋯O = 3.254 (2) Å] interaction complement the crystal structure.
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0.41Impact points
(R,R(Fc),S(Ru))-Chlorido(η-p-cymene){1-[1-(diphenyl-phosphanyl)ethyl]-2-[2-(diphenyl-phosphanyl)phenyl]ferrocene-κP,P'}ruthenium(II) hexa-fluorido-phosphate.
Acta crystallographica. Section E, Structure reports online. 10/2011; 67(Pt 10):m1379-80.
The asymmetric unit of the title compound, [FeRuCl(C(5)H(5))(C(10)H(14))(C(37)H(31)P(2))]PF(6), contains two independent, geometrically similar Ru(II) complexes of a chiral ferrocenyldiphosphane with piano-stool coordination through the η(6)-bound p-cymene ligand, two chelating phospho-rus donor ato... [more] The asymmetric unit of the title compound, [FeRuCl(C(5)H(5))(C(10)H(14))(C(37)H(31)P(2))]PF(6), contains two independent, geometrically similar Ru(II) complexes of a chiral ferrocenyldiphosphane with piano-stool coordination through the η(6)-bound p-cymene ligand, two chelating phospho-rus donor atoms, and an exo-oriented chloride ion. The mean bond lengths of the two Ru complexes are Ru-C = 2.276 Å, Ru-P = 2.3816 Å, and Ru-Cl = 2.3924 Å. Both chloride ligands form only intra-molecular C-H⋯Cl inter-actions. Seven weak inter-molecular C-H⋯F inter-actions involving mainly arene H atoms consolidate the crystal packing, which reveals an approximate c/2 pseudo-translation relating the two independent Ru complex mol-ecules.
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0.41Impact points
rac-Dichlorido(1-{(diphenyl-phosphan-yl)[2-(diphenyl-phosphan-yl)phen-yl]meth-yl}ferrocene-κP,P')palladium(II) dimethyl sulfoxide disolvate.
Acta crystallographica. Section E, Structure reports online. 10/2011; 67(Pt 10):m1377-8.
The racemic title compound, [FePdCl(2)(C(5)H(5))(C(36)H(29)P(2))]·2(CH(3))(2)SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group. The Pd(II) atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths ... [more] The racemic title compound, [FePdCl(2)(C(5)H(5))(C(36)H(29)P(2))]·2(CH(3))(2)SO, features a Pd-chelating 1,3-diphosphine, which is substituted at a P-bearing asymmetric C atom by a ferrocenyl group. The Pd(II) atom is in a distorted quadratic coordination by two P and two Cl atoms with bond lengths of 2.2414 (3) and 2.2438 (3) Å for Pd-P, and 2.3452 (3) and 2.3565 (3) Å for Pd-Cl. The conformation of the Pd complex is controlled by an intra-molecular slipped π-π stacking inter-action between a phenyl and a cyclo-penta-dienyl ring with corresponding C⋯C distances starting at 3.300 (2) Å and the distance between ring centroids being 3.674 (2) Å. The crystal structure is stabilized by C-H⋯Cl and C-H⋯O hydrogen bonds. The (CH(3))(2)SO solvent mol-ecules are arranged in layers parallel to (101) and are linked in pairs by C-H⋯O inter-actions. One (CH(3))(2)SO mol-ecule is orientationally disordered [occupancy ratio 0.8766 (17):0.1234 (17)] with sulfur in two positions at both sides of its C(2)O triangle.
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0.41Impact points
A 1:1 co-crystal of the herbicide triflusulfuron-methyl and its degradation product triazine amine.
Acta crystallographica. Section E, Structure reports online. 09/2011; 67(Pt 9):o2321-2.
The herbicide triflusulfuron-methyl (systematic name: methyl 2-{[4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazin-2-yl]carbamoylsulfamo-yl}-3-methyl-benzoate) and its degradation product triazine amine [systematic name: 2-amino-4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazine] f... [more] The herbicide triflusulfuron-methyl (systematic name: methyl 2-{[4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazin-2-yl]carbamoylsulfamo-yl}-3-methyl-benzoate) and its degradation product triazine amine [systematic name: 2-amino-4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazine] form a triclinic 1:1 co-crystal of the title compound, C(7)H(10)F(3)N(5)O·C(17)H(19)F(3)N(6)O(6)S, in which its two components are connected via a pair of complementary N-H⋯N hydrogen bonds, similar to the monoclinic crystal structure of the parent compound triflusulfuron-methyl [Mereiter (2011 ▶). Acta Cryst. E67, o1778-o1779] in which a pair of mol-ecules related by a twofold axis are linked by two N-H⋯N bonds. The triflusulfuron-methyl mol-ecules of both crystal structures are similar in geometric parameters and conformation, which is due to stiffening by a short intra-molecular N-H⋯N bond [N⋯N = 2.620 (4) Å] and an intra-molecular dipole-dipole inter-action between the sulfamide and the carboxyl moieties, with O(s)⋯C(c) = 2.802 (5) Å and O(c)⋯N(s) = 2.846 (4) Å. Inter-molecular N-H⋯O hydrogen bonds and slipped π-π stacking inter-actions between the diamino-triazine moieties [perpendicular distances of 3.25 Å within hydrogen-bonded tetra-mers and 3.27 Å between adjacent tetra-mers] link the two constituents of the co-crystal into columns parallel to the a axis. An intra-molecular C-H⋯O hydrogen bond occurs in the triflusulfuron-methyl mol-ecule and inter-molecular C-H⋯O inter-actions between triflusulfuron-methyl mol-ecules occur in the crystal structure. In the triflusulfuron-methyl molecule the dihedral angle between the least-squares planes of the two rings is 75.8 (1)°. In the triazine molecule, the CF(3) group is partly orientationally disordered.
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3.22Impact points
Novel tocopherol derivatives. Part 32: On the bromination of pyrano[3,2-f]chromenes related to γ-tocopherol.
Tetrahedron. 08/2011; 67(34):6181-6185.
While bromination of γ-tocopherol (2) with elemental bromine affords 5-bromo-γ-tocopherol quantitatively (3), the analogous reaction of its truncated model compound, 2,2,7,8-tetramethylchromanol (2a) is known to be accompanied by side reactions and to produce hitherto unknown byproducts. These compo... [more] While bromination of γ-tocopherol (2) with elemental bromine affords 5-bromo-γ-tocopherol quantitatively (3), the analogous reaction of its truncated model compound, 2,2,7,8-tetramethylchromanol (2a) is known to be accompanied by side reactions and to produce hitherto unknown byproducts. These compounds originate from pyrano[3,2-f]chromene (6), a byproduct in the synthesis of model compound 2a, which affords bromochromene 7 as the major product. The reaction mechanism was shown to proceed via chromene 8 and its 1,2-dibromo addition compound 9, which eliminates HBr in an E1 process to finally afford 7. Analytical data including crystal structures of both 6 and 7 are reported.
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4.08Impact points
Tri- and tetracoordinate copper(I) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine.
Dalton transactions (Cambridge, England : 2003). 07/2011; 40(26):7008-21.
The coordination properties of the EN ligands N-(2-pyridinyl)amino-diphenylphosphine sulfide, N-(2-pyridinyl)amino-diisopropylphosphine sulfide, N-(2-pyridinyl)amino-diphenylphosphine selenide, N-(2-pyridinyl)amino-diisopropylphosphine selenide towards copper(I) precursors CuX (X = Br, I), [Cu(IPr)C... [more] The coordination properties of the EN ligands N-(2-pyridinyl)amino-diphenylphosphine sulfide, N-(2-pyridinyl)amino-diisopropylphosphine sulfide, N-(2-pyridinyl)amino-diphenylphosphine selenide, N-(2-pyridinyl)amino-diisopropylphosphine selenide towards copper(I) precursors CuX (X = Br, I), [Cu(IPr)Cl] (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene), and [Cu(CH(3)CN)(4)]PF(6) were studied. Treatment of CuX with EN ligands resulted in the formation of tricoordinate complexes of the type [Cu(κ(2)(E,N)-EN)X]. The reaction of [Cu(IPr)Cl] with EN ligands, followed by halide abstraction with AgSbF(6), afforded cationic tricoordinate complexes [Cu(κ(2)(S,N)-EN)(IPr)](+), while the reaction of [Cu(CH(3)CN)(4)](+) with two equivalents of EN ligands yielded tetrahedral complexes [Cu(κ(2)(E,N)-EN)(2)](+). Halide removal from [Cu(κ(2)(S,N)-SN)I] with silver salts in the presence of L = CH(3)CN and CNtBu afforded dinuclear complexes of the type [Cu(κ(2)(S,N),μ(S)-SN)(L)](2)(2+) containing bridging SN ligands. With the terminal alkynes HC≡CC(6)H(4)Me and HC≡CC(6)H(4)OMe, complexes of the formula [Cu(κ(2)(S,N)-SN-iPr)(η(2)-HC≡CC(6)H(4)Me)](+) and [Cu(κ(2)(S,N)-SN-iPr)(η(2)-HC≡CC(6)H(4)OMe)](+) were obtained. The mononuclear nature of these compounds was supported by DFT calculations. Most complexes were also characterized by X-ray crystallography.
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0.41Impact points
The herbicide triflusulfuron-meth-yl.
Acta crystallographica. Section E, Structure reports online. 07/2011; 67(Pt 7):o1778-9.
The mol-ecule of the title compound [systematic name: methyl 2-({[4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazin-2-yl]carbamo-yl}sulfamo-yl)-3-methyl-benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl-amino-triazinyl-urea group with a short... [more] The mol-ecule of the title compound [systematic name: methyl 2-({[4-dimethyl-amino-6-(2,2,2-trifluoro-eth-oxy)-1,3,5-triazin-2-yl]carbamo-yl}sulfamo-yl)-3-methyl-benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl-amino-triazinyl-urea group with a short intra-molecular N-H⋯N hydrogen bond to a triazine N atom. An intra-molecular dipole-dipole inter-action between the sulfamide and carboxyl-ate groups, with O(s)⋯C(c) = 2.800 (1) Å and N(s)⋯O(c) = 2.835 (1) Å, controls the orientation of the methyl-benzoate group and the shape of the mol-ecule. The crystal structure is stabilized by inter-molecular N-H⋯N hydrogen bonding, C-H⋯X (X = N,O) inter-actions and arene π-π stacking.
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2.03Impact points
Crystal and molecular structure of methyl L-glycero-α-D-manno-heptopyranoside, and synthesis of 1→7 linked L-glycero-D-manno-heptobiose and its methyl α-glycoside.
Carbohydrate research. 06/2011; 346(13):1739-46.
Methyl l-glycero-α-d-manno-heptopyranoside was synthesized in good yield by a Fischer-type glycosylation of the heptopyranose with methanol in the presence of cation-exchange resin under reflux and microwave conditions, respectively. The compound crystallized from 2-propanol in an orthorhombic latti... [more] Methyl l-glycero-α-d-manno-heptopyranoside was synthesized in good yield by a Fischer-type glycosylation of the heptopyranose with methanol in the presence of cation-exchange resin under reflux and microwave conditions, respectively. The compound crystallized from 2-propanol in an orthorhombic lattice of space group P2(1)2(1)2 showing a comparatively porous structure with a 2-dimensional O-H⋯O hydrogen bond network. As model compounds for the side chain domains of the inner core structure of bacterial lipopolysaccharide, l-glycero-α-d-manno-heptopyranosyl-(1→7)-l-glycero-d-manno-heptopyranose and the corresponding disaccharide methyl α-glycoside were prepared. The former compound was generated via glycosylation of a benzyl 5,6-dideoxy-hept-5-enofuranoside intermediate followed by catalytic osmylation and deprotection. The latter disaccharide was efficiently synthesized in good yield by a straightforward coupling of an acetylated N-phenyltrifluoroacetimidate heptopyranosyl donor to a methyl 2,3,4,6-tetra-O-acetyl heptopyranoside acceptor derivative followed by Zemplén deacetylation.
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4.66Impact points
New [2 × 2] copper(i) grids as anion receptors. Effect of ligand functionalization on the ability to host counteranions by hydrogen bonds.
Inorganic chemistry. 10/2010; 49(19):8828-47.
Several complexes with a [2 × 2] grid structure have been obtained by the self-assembly of different copper(I) salts and ligands of the type 4,6-bis(pyrazol-1-yl)pyrimidine containing different substituents on the heterocycles. The main goal has been to evaluate the influence over the solid state an... [more] Several complexes with a [2 × 2] grid structure have been obtained by the self-assembly of different copper(I) salts and ligands of the type 4,6-bis(pyrazol-1-yl)pyrimidine containing different substituents on the heterocycles. The main goal has been to evaluate the influence over the solid state and solution behavior of the functionalization of the pyrimidine ring with a primary amino substituent. The molecular and crystalline structures of some derivatives have been determined by X-ray diffraction. The grids contain two open voids formed by pairs of ligands facing one another on opposite sides of the grid in a somewhat divergent manner. One counteranion is hosted in each void interacting through hydrogen bonds and anion-π interactions. The presence of the amino group that points toward the inside of the cavity dominates the interactions in the void and apparently determines the orientation of the hosted counteranion and that of the ligands. With the exception of the derivative with chloride as the anion, the grid structure is preserved in solution (NMR and UV-vis) and some cation-anion interaction, increased by the presence of the amino group, exists also in solution (DOSY experiments). The experiments of anion interchange performed in solution indicate that a higher stability is found for the host-guest aggregates with OTs(-) (p-Me-C(6)H(4)SO(3)) and NO(3)(-). While for these anions a 1:2 stoichiometry is reached, for the rest of the anions tested (ReO(4)(-), OTf(-), and PF(6)(-)), only weaker 1:1 complexes are formed. Computational studies support the presence of anion-π interactions.
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0.41Impact points
Bis{2-[(diisopropyl-phosphan-yl)amino]-pyridine-κN,P}copper(I) hexa-fluorido-phosphate.
Acta crystallographica. Section E, Structure reports online. 01/2010; 66(Pt 7):m729-30.
The crystal structure of the title compound, [Cu(C(11)H(19)N(2)P)(2)]PF(6), is composed of discrete [Cu(PN-iPr)(2)](+) cations [PN-iPr is 2-(diisopropyl-phosphanyl-amino)-pyridine] and PF(6) (-) anions. The Cu(I) atom is bis-chelated by two independent PN-iPr ligands. It has a distorted tetra-hedral... [more] The crystal structure of the title compound, [Cu(C(11)H(19)N(2)P)(2)]PF(6), is composed of discrete [Cu(PN-iPr)(2)](+) cations [PN-iPr is 2-(diisopropyl-phosphanyl-amino)-pyridine] and PF(6) (-) anions. The Cu(I) atom is bis-chelated by two independent PN-iPr ligands. It has a distorted tetra-hedral coordination by two P atoms [Cu-P = 2.2277 (4) and 2.2257 (4) Å] and two pyridine N atoms [Cu-N = 2.0763 (11) and 2.0845 (12) Å]. Bond angles about Cu vary from 85.11 (3) (P-Cu-N) to 130.37 (2)° (P-Cu-P). In the crystal, N-H⋯F hydrogen bonds link the Cu complexes and the PF(6) (-) anions into continuous chains, which show a cross-bedded spatial arrangement. In addition, several weaker C-H⋯F inter-actions contribute to the coherence of the structure.
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0.41Impact points
cis-Dichlorido(1,3-dimesitylimidazolidin-2-yl-idene)(2-formyl-benzyl-idene-κC,O)ruthenium diethyl ether solvate.
Acta crystallographica. Section E, Structure reports online. 01/2010; 66(Pt 2):m154-5.
The title compound, [RuCl(2)(C(8)H(6)O)(C(21)H(26)N(2))]·C(4)H(10)O, contains a catalytically active ruthenium carbene complex of the 'second-generation Grubbs/Hoveyda' type with Ru in a square-pyramidal coordination, the apex of which is formed by the benzyl-idene carbene atom with Ru=C 1.8... [more] The title compound, [RuCl(2)(C(8)H(6)O)(C(21)H(26)N(2))]·C(4)H(10)O, contains a catalytically active ruthenium carbene complex of the 'second-generation Grubbs/Hoveyda' type with Ru in a square-pyramidal coordination, the apex of which is formed by the benzyl-idene carbene atom with Ru=C 1.827 (2) Å. The complex shows the uncommon cis, rather than the usual trans, arrangement of the two chloride ligands, with Ru-Cl bond lengths of 2.3548 (6) and 2.3600 (6) Å, and a Cl-Ru-Cl angle of 89.76 (2)°. This cis configuration is desirable for certain applications of ring-opening metathesis polymerization (ROMP) of strained cyclic olefins. The crystalline solid is a diethyl ether solvate, which is built up from a porous framework of Ru complexes held together by π-π stacking and C-H⋯Cl and C-H⋯O inter-actions. The disordered diethyl ether solvent mol-ecules are contained in two independent infinite channels, which extend parallel to the c axis at x,y = 0,0 and x,y = , and have solvent-accessible void volumes of 695 and 464 Å(3) per unit cell.
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0.41Impact points
{2,2'-[3-Aza-pentane-1,5-diylbis(nitrilo-methyl-idyne)]dipyrrol-1-yl}(4-methyl-pyridine)cobalt(III) tetra-phenyl-borate.
Acta crystallographica. Section E, Structure reports online. 01/2010; 66(Pt 3):m332-3.
The title compound, [Co(C(14)H(17)N(5))(C(6)H(7)N)](C(24)H(20)B) or [Co{(pyrrole)(2)dien}(4-Mepy)]BPh(4) where (pyrrole)(2)dien is 2,2'-[(3-aza-pentane-1,5-diylbis(nitrilo-methyl-idyne)]dipyrrole and 4-Mepy is 4-methyl-pyridine, contains a penta-dentate (pyrrole)(2)dien ligand furnishing an N(5)... [more] The title compound, [Co(C(14)H(17)N(5))(C(6)H(7)N)](C(24)H(20)B) or [Co{(pyrrole)(2)dien}(4-Mepy)]BPh(4) where (pyrrole)(2)dien is 2,2'-[(3-aza-pentane-1,5-diylbis(nitrilo-methyl-idyne)]dipyrrole and 4-Mepy is 4-methyl-pyridine, contains a penta-dentate (pyrrole)(2)dien ligand furnishing an N(5) set, such that two of the pyrrole N atoms and two of the dien N atoms occupy the equatorial positions while one of the imine N atoms of the (pyrrole)(2)dien ligand occupies the axial position. The 4-methyl-pyridine ligand occupies an axial position trans to one of the imine N atoms of the penta-dentate ligand. In the observed conformation of the penta-dentate ligand, the pyrrole rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN(6) coordination can be described as distorted octa-hedral.
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0.41Impact points
Poly[[bis-{μ(3)-tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine}copper(II)] bis-(perchlorate)].
Acta crystallographica. Section E, Structure reports online. 01/2010; 66(Pt 4):m399-400.
In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-... [more] In the title compound, {[Cu(C(9)H(15)N(13))(2)](ClO(4))(2)}(n), the Cu(2+) cation lies on an inversion center and is coordinated by the tetra-zole N(4) atoms of six symmetry-equivalent tris-[2-(1H-tetra-zol-1-yl)eth-yl]amine ligands (t(3)z) in the form of a Jahn-Teller-distorted octa-hedron with Cu-N bond distances of 2.0210 (8), 2.0259 (8) and 2.4098 (8) Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t(3)z)(2)](2+), forms an infinite two-dimensional network parallel to (100), in pockets of which the perchlorate anions reside. The individual networks are partially inter-locked and held together by C-H⋯O inter-actions to the perchlorate anions and C-H⋯N inter-actions to tetra-zole N atoms.
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0.41Impact points
(+)-Methyl 3β-acet-oxy-13-carb-oxy-19-hy-droxy-11-oxo-C-norolean-18-en-30-oate γ-lactone.
Acta crystallographica. Section E, Structure reports online. 01/2010; 66(Pt 10):o2597-8.
The title compound, C(33)H(46)O(7), is an unusual oxydation product of the therapeutic agent glycyrrhetinic acid that has, in comparison to the latter, a distinctly altered triterpene structure with one five- and four six-membered carbocycles complemented by a γ-lactone ring with a spiro-junction an... [more] The title compound, C(33)H(46)O(7), is an unusual oxydation product of the therapeutic agent glycyrrhetinic acid that has, in comparison to the latter, a distinctly altered triterpene structure with one five- and four six-membered carbocycles complemented by a γ-lactone ring with a spiro-junction and a ring double bond. The junction between the five-membered ring C, a cyclo-penta-none ring, and the six-membered ring D, previously in question, was found to be cis, confirming earlier structure assignments based solely on chemical transformations. In the solid state, the compound exhibits five intra- and four inter-molecular C-H⋯O inter-actions with H⋯O distances less than or equal to 2.70 Å and C-H⋯O greater than 100°.
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{2,2′-[3-Azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrol-1-yl}(4-methylpyridine)cobalt(III) tetraphenylborate
Acta Crystallographica Section E. 01/2010;
The title compound, [Co(C14H17N5)(C6H7N)](C24H20B) or [Co{(pyrrole)2dien}(4-Mepy)]BPh4 where (pyrrole)2dien is 2,2′-[(3-azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrole and 4-Mepy is 4-methylpyridine, contains a pentadentate (pyrrole)2dien ligand furnishing an N5 set, such that two of the pyrrol... [more] The title compound, [Co(C14H17N5)(C6H7N)](C24H20B) or [Co{(pyrrole)2dien}(4-Mepy)]BPh4 where (pyrrole)2dien is 2,2′-[(3-azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrole and 4-Mepy is 4-methylpyridine, contains a pentadentate (pyrrole)2dien ligand furnishing an N5 set, such that two of the pyrrole N atoms and two of the dien N atoms occupy the equatorial positions while one of the imine N atoms of the (pyrrole)2dien ligand occupies the axial position. The 4-methylpyridine ligand occupies an axial position trans to one of the imine N atoms of the pentadentate ligand. In the observed conformation of the pentadentate ligand, the pyrrole rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN6 coordination can be described as distorted octahedral.
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Poly[[bis{μ3-tris[2-(1H-tetrazol-1-yl)ethyl]amine}copper(II)] bis(perchlorate)]
Acta Crystallographica Section E. 01/2010;
In the title compound, {[Cu(C9H15N13)2](ClO4)2}n, the Cu2+ cation lies on an inversion center and is coordinated by the tetrazole N4 atoms of six symmetry-equivalent tris[2-(1H-tetrazol-1-yl)ethyl]amine ligands (t3z) in the form of a Jahn–Teller-distorted octahedron with Cu—N bond distances of 2.021... [more] In the title compound, {[Cu(C9H15N13)2](ClO4)2}n, the Cu2+ cation lies on an inversion center and is coordinated by the tetrazole N4 atoms of six symmetry-equivalent tris[2-(1H-tetrazol-1-yl)ethyl]amine ligands (t3z) in the form of a Jahn–Teller-distorted octahedron with Cu—N bond distances of 2.0210 (8), 2.0259 (8) and 2.4098 (8) Å. The tertiary amine N atom is stereochemically inactive. The cationic part of the structure, viz. [Cu(t3z)2]2+, forms an infinite two-dimensional network parallel to (100), in pockets of which the perchlorate anions reside. The individual networks are partially interlocked and held together by C—H...O interactions to the perchlorate anions and C—H...N interactions to tetrazole N atoms.
Following (6)
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David Quiñonero
Universidad de las Islas Baleares -
M Muthu Tamizh
National Institute of Technology, Tiruchirappalli -
Thomas Rosenau
Universität für Bodenkultur Wien -
Antje Potthast
Universität für Bodenkultur Wien -
Ulrich Jordis
Technische Universität Wien
Topics (1)
