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ABSTRACT: In the polymeric title compound, {[Ce(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the Ce(3+) cation is nine-coordinated in a distorted CeNO(8) tricapped trigonal-prismatic geometry, formed by three pyridine-2,4-dicarboxyl-ate anions, one oxalate anion and three water mol-ecules. The mid-point of the oxalate anion is located on an inversion center. The oxalate and pyridine-2,4-dicarboxyl-ate anions bridge the Ce(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular classical O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding are present in the crystal structure and π-π stacking [centroid-centroid distance = 3.558 (2) Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water mol-ecule shows an occupancy of 0.5.
Acta Crystallographica Section E Structure Reports Online 01/2012; 68(Pt 1):m21-2. · 0.35 Impact Factor
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ABSTRACT: In the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the La(3+) cation is nine-coordinated in a distorted LaNO(8) tricapped trigonal-prismatic geometry formed by three pyridinedicarboxylate anions, one oxalate anion and three water mol-ecules. The oxalate anion is located on an inversion center. The oxalate and pyridine-dicarboxyl-ate anions bridge the La(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding is present in the crystal structure and π-π stacking [centroid-centroid distance = 3.571 (3) Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water molecule shows an occupancy of 0.5.
Acta Crystallographica Section E Structure Reports Online 12/2011; 67(Pt 12):m1731-2. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title coordination polymer, {[La(2)(C(8)H(4)O(4))(3)(H(2)O)]·0.5H(2)O}(n), contains two independent La(III) atoms, one of which is surrounded by eight carboxyl-ate-O atoms from six benzene-1,2-dicarboxyl-ate (BDC) anions in a bicapped trigonal-prismatic geometry. The other La(III) atom is nine-coordinated in a tricapped trigonal-prismatic geometry, formed by eight carboxyl-ate-O atoms from six BDC anions and a coordinated water mol-ecule. The BDC anions bridge the La(III) atoms, forming a two-dimensional polymeric complex parallel to (001). The crystal structure contains weak O-H⋯O and non-classical C-H⋯O hydrogen bonds. A C-H⋯π inter-action is also present in the crystal structure. The uncoordinated water molecule shows half-occupation.
Acta Crystallographica Section E Structure Reports Online 10/2011; 67(Pt 10):m1370-1. · 0.35 Impact Factor
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ABSTRACT: There are two independent La(III) cations in the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(3)(H(2)O)(4)]·2H(2)O}(n). One is nine-coordinated in an LaN(2)O(7) tricapped trigonal-prismatic geometry formed by three pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules, while the other is ten-coordinated in an LaNO(9) bicapped square-anti-prismatic geometry formed by four pyridine-2,6-dicarboxyl-ate anions and two water mol-ecules. The two La(III) cations are separated by a non-bonding distance of 5.026 (3) Å. The pyridine-2,6-dicarboxyl-ate anions bridge the La(III) cations, forming a three-dimensional polymeric complex. The crystal structure contains extensive classical O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure is further consolidated by π-π stacking between pyridine rings, the shortest centroid-centroid distance between parallel pyridine rings being 3.700 (5) Å.
Acta Crystallographica Section E Structure Reports Online 09/2011; 67(Pt 9):m1195-6. · 0.35 Impact Factor
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Shie Fu Lush
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ABSTRACT: In the title dinuclear Cu(II) complex, [Cu(2)(C(7)H(3)NO(4))(2)(C(12)H(10)N(2))(H(2)O)(2)]·2H(2)O, the water-coordinated Cu(II) cation is O,N,O'-chelated by a pyridine-2,6-dicarboxyl-ate (pdc) dianion, and one pyridine N atom from a 1,2-bis-(4-pyrid-yl)ethene ligand coordinates to the Cu(II) cation, completing the CuN(2)O(3) distorted square-pyriamidial geometry. The Cu-O(water) bond [2.388 (4) Å] in the axial direction is much longer than the other Cu-O bonds. The 1,2-bis-(4-pyrid-yl)ethene ligand is located across an inversion center with the mid-point of the C=C bond at the inversion center, and bridges two Cu(II) cations, generating a centrosymmetric dinuclear complex. The crystal structure is stabilized by classical O-H⋯O and weak C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 06/2011; 67(Pt 6):m775. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title heterometallic polymeric coordination compound, {[CuYb(2)(C(7)H(3)NO(4))(4)(H(2)O)(8)]·H(2)O}(n), contains one Cu(II) cation located on an inversion center, a Yb(III) cation, two pyridine-2,5-dicarboxyl-ate (pda) anions, four coordination water mol-ecules a disordered lattice water molecule, which is half-occupied and is located close to an inversion center. The Cu(II) cation is N,O-chelated by two pda anions in the coordination basal plane and further coordinated by two carboxyl O atoms at the apical positions, with an elongated octa-hedral geometry. The Yb(III) atom is eight-coordinated in a distorted square-anti-prismatic geometry formed by two carboxyl-ate O atoms from two pda anions, and is N,O-chelated by one pda anion and four coordinated water mol-ecules. The pda anions bridge adjacent Yb and Cu cations, forming a three-dimensional polymeric structure. The crystal structure features extensive O-H⋯O hydrogen bonds. π-π stacking is observed between parallel pyridine rings, the centroid-centroid distance being 3.843 (4) Å.
Acta Crystallographica Section E Structure Reports Online 05/2011; 67(Pt 5):m615-6. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title heterometallic coordination polymer, {[Cu(3)Yb(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·2H(2)O}(n), contains one Yb(III) and two Cu(II) atoms. The Cu(II) atom that is located on an inversion center is N,O-chelated by two pyridine-2,5-dicarboxyl-ate (pdc) anions in a square-planar geometry; the Cu atom located on a general position is N,O-chelated by two pdc anions in the basal plane and is further coordinated by a water O atom at the apical position in a distorted square-pyramidal geometry. The Yb(III) atom is eight coordinated in a distorted square-anti-prismatic geometry formed by three carboxyl-ate O atoms from three pdc anions and five water mol-ecules. The pdc anions bridge adjacent Yb(III) and Cu(III) atoms, forming a three-dimensional polymeric structure. The crystal structure contains extensive O-H⋯O hydrogen bonds. π-π stacking is present in the crystal structure, the shortest centroid-centroid distance between parallel pyridine rings of adjacent mol-ecules being 3.646 (3) Å.
Acta Crystallographica Section E Structure Reports Online 04/2011; 67(Pt 4):m406-7. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title compound, [Ce(2)(C(7)H(3)NO(4))(3)(H(2)O)(3)](n), contains two Ce(III) cations, three pyridine-3,5-dicarboxyl-ate (pyd) anions and three coordinated water mol-ecules. One Ce(III) cation is coordinated by seven carboxyl-ate O atoms from six pyd anions and two water mol-ecules in a square-face-capped square-anti-prismatic geometry. Another Ce(III) cation is coordinated by seven O atoms from six pdy anions and one water mol-ecule in a bicapped trigonal-prismatic geometry. The pdy anions bridge the Ce(III) cations, forming the three-dimensional polymeric structure. The crystal structure contains extensive O-H⋯O, O-H⋯N and weak C-H⋯O hydrogen bonds. π-π stacking is present in the crystal structure, the shortest centroid-centroid distance between parallel pyridine rings being 3.509 (4) Å.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):m161-2. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title heterometallic coordination polymer, {[Cu3Yb2(C7H3NO4)6(H2O)12]·2H2O}n, contains one YbIII and two CuII atoms. The CuII atom that is located on an inversion center is N,O-chelated by two pyridine-2,5-dicarboxylate (pdc) anions in a square-planar geometry; the Cu atom located on a general position is N,O-chelated by two pdc anions in the basal plane and is further coordinated by a water O atom at the apical position in a distorted square-pyramidal geometry. The Yb(III) atom is eight coordinated in a distorted square-antiprismatic geometry formed by three carboxylate O atoms from three pdc anions and five water molecules. The pdc anions bridge adjacent Yb(III) and Cu(III) atoms, forming a three-dimensional polymeric structure. The crystal structure contains extensive O—H...O hydrogen bonds. π–π stacking is present in the crystal structure, the shortest centroid–centroid distance between parallel pyridine rings of adjacent molecules being 3.646 (3) Å.
Acta Crystallographica Section E. 01/2011;
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ABSTRACT: In the title compound, C12H9N2+·NO3−·[Er(C7H5O3)2(NO3)(C12H8N2)(H2O)]·0.5C12H8N2·2H2O, the water-molecule-coordinated ErIII ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hydroxybenzoate anions and one nitrate anion in a monocapped square-antiprismatic coordination geometry. The uncoordinating phen molecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3 (4)°]. The centroid–centroid distance of 3.801 (5) Å between pyridine rings suggests the existence of π–π stacking. The crystal structure contains an extensive network of classical O—H...O and N—H...O and weak C—H...O hydrogen bonds. C—H...π interactions between phen and 4-hydroxybenzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center.
Acta Crystallographica Section E. 01/2011;
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ABSTRACT: The asymmetric unit of the title compound, [Ce2(C7H3NO4)3(H2O)3]n, contains two CeIII cations, three pyridine-3,5-dicarboxylate (pyd) anions and three coordinated water molecules. One CeIII cation is coordinated by seven carboxylate O atoms from six pyd anions and two water molecules in a square-face-capped square-antiprismatic geometry. Another CeIII cation is coordinated by seven O atoms from six pdy anions and one water molecule in a bicapped trigonal–prismatic geometry. The pdy anions bridge the CeIII cations, forming the three-dimensional polymeric structure. The crystal structure contains extensive O—H...O, O—H...N and weak C—H...O hydrogen bonds. π–π stacking is present in the crystal structure, the shortest centroid–centroid distance between parallel pyridine rings being 3.509 (4) Å.
Acta Crystallographica Section E. 01/2011;
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ABSTRACT: In the title coordination polymer, [Pb(C7H3NO4)]n, the PbII ion is eight-coordinated in a distorted square-antiprismatic geometry formed by one pyridine N atom and seven carboxylate O atoms from four pyridine-2,3-dicarboxylate (pda) anions. In the pda anion, the dihedral angles between the pyridine ring and carboxylate groups are 19.5 (6) and 73.3 (6)°. The carboxylate groups of the pda anions bridge the Pb ions, forming a two-dimensional coordination polymer parallel to (100). Weak intermolecular C—H...O hydrogen boning is present in the crystal structure.
Acta Crystallographica Section E. 01/2011;
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Shie Fu Lush
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ABSTRACT: In the centrosymmetric title compound, [Co(2)(C(7)H(3)NO(4))(2)(C(10)H(8)N(2))(2)(H(2)O)(2)]·2H(2)O, the two Co(II) cations are bridged by pairs of pyridine-2,5-dicarboxyl-ate anions across an inversion center. Besides two pyridine-2,5-dicarboxyl-ate anions, one bidentate 2,2'-bipyridine and one water mol-ecule coordinate to the Co cation, completing a distorted octa-hedral coordination geometry. Within the dinuclear mol-ecule, π-π stacking occurs between parallel pyridine rings with centroid-centroid distances of 3.802 (2) Å. The crystal structure contains extensive O-H⋯O and weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):m278-9. · 0.35 Impact Factor
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ABSTRACT: In the title coordination polymer, [Pb(C(7)H(3)NO(4))](n), the Pb(II) ion is eight-coordinated in a distorted square-anti-prismatic geometry formed by one pyridine N atom and seven carboxyl-ate O atoms from four pyridine-2,3-dicarboxyl-ate (pda) anions. In the pda anion, the dihedral angles between the pyridine ring and carboxyl-ate groups are 19.5 (6) and 73.3 (6)°. The carboxyl-ate groups of the pda anions bridge the Pb ions, forming a two-dimensional coordination polymer parallel to (100). Weak inter-molecular C-H⋯O hydrogen boning is present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):m163-4. · 0.35 Impact Factor
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ABSTRACT: In the crystal structure of the title 1:1 adduct, C(12)H(12)N(2)·C(8)H(9)NO(2), the 4-amino-3-methyl-benzoic acid mol-ecules and 1,2-bis-(4-pyrid-yl)ethane mol-ecules are linked by inter-molecular O-H⋯N, N-H⋯O and N-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular network parallel to (001). In the 1,2-bis-(4-pyrid-yl)ethane mol-ecule, the two pyridine rings are twisted to each other by a dihedral angle of 12.12 (8)°. The non-H atoms of the 4-amino-3-methyl-benzoic acid mol-ecule are almost coplanar, the maximum atomic deviation being 0.029 (1) Å. Weak C-H⋯π inter-actions are present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 3):o652. · 0.35 Impact Factor
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ABSTRACT: The asymmetric unit of the title compound, C12H14N22+·2C7H5O5−·1.5H2O, contains two 4,4′-ethylenedipyridinium cations, four gallate anions and three water molecules. In the 4,4′-ethylenedipyridinium cations, the dihedral angles between the pyridinium rings are 4.3 (3) and 18.6 (3)°. Extensive classical N—H...O and O—H...O hydrogen bonding and weak C—H...O hydrogen bonding and C—H...π interactions are present in the crystal structure. π–π stacking is also observed, the centroid–centroid separations between the benzene and pyridine rings being 3.611 (3), 3.448 (3) and 3.536 (3) Å.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the title dinuclear InIII compound, [In2(SO4)3(C12H8N2)2(H2O)2]·2H2O, each InIII cation is coordinated by a 1,10-phenanthroline (phen) ligand, a water molecule and three sulfate O atoms in a distorted InN2O4 octahedral geometry. Three sulfate anions bridge two InIII cations, forming the dinuclear entities. O—H...O and weak C—H...O hydrogen bonding is observed in the crystal structure. The crystal structure is further consolidated by π–π stacking between nearly parallel phen ring systems [dihedral angle = 4.2 (4)°], the centroid–centroid distance between benzene rings of adjacent phen ligands being 3.528 (9) Å.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the title complex, [Pb(NO3)2(C14H12N2)2], the lead ion is chelated by two 2,9-dimethyl-1,10-phenanthroline (dmphen) ligands and two nitrate anions in a slightly distorted square-antiprismatic geometry. Intra- and intermolecular π–π stacking is present in the crystal structure, and the centroid–centroid distances between the benzene and pyridine rings of adjacent dmphen ligands are 3.492 (3) and 3.592 (3) Å, respectively. Intermolecular C—H...O hydrogen bonds and C—H...π interactions help to stabilize the crystal structure.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the crystal structure of the title compound, C13H14N2·C7H7NO2, the 4,4′-trimethylene-dipyridine (TMDP) molecule displays an approximately planar structure, the maximum atomic deviation excluding H atoms being 0.118 (2) Å and the dihedral angle between the pyridine rings 4.59 (10)°. The TMDP and 4-aminobenzoic acid (ABA) molecules are linked by O—H...N and N—H...N hydrogen bonding, while ABA molecules are linked by O—H...O hydrogen bonding. C—H...π interactions are also observed between the methylene groups of TMDP molecules and the benzene rings of ABA molecules.
Acta Crystallographica Section E. 01/2010;
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ABSTRACT: In the crystal structure of the title compound, C12H14N22+·2C7H5O3−, the cations and anions are linked via N—H...O hydrogen bonds and weak intermolecular C—H...O interactions also occur. π–π stacking is observed between the nearly parallel benzene and pyridine rings [dihedral angle = 6.03 (8)°], the centroid–centroid separation being 3.7546 (16) Å. The 4,4′-(ethane-1,2-diyl)dipyridinium cation is centrosymmetric and the mid-point of the ethylene C—C bond is located on an inversion center. An intramolecular O—H...O hydrogen bond occurs in the anion.
Acta Crystallographica Section E. 01/2010;
