-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(28)H(27)NO(6)S·0.5CHCl(3), the ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. The chloro-form solvent mol-ecule is disordered across an inversion centre and is therefore half occupied. The mol-ecular packing is controlled by inter-molecular C-H⋯O inter-actions.
Acta Crystallographica Section E Structure Reports Online 06/2011; 67(Pt 6):o1460-1. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the bioactive title compound, [ZnBr(2)(C(9)H(13)NO)(2)], the Zn(II) atom is coordinated in a distorted tetra-hedral arrangement by two Br(-) anions and the O atoms of two zwitterionic organic ligands. The pyridinium rings are almost planar [maximum deviations = 0.004 (4) and 0.003 (4) Å]. The ethyl groups are approximately perpendicular to the corresponding pyridinium ring planes [N-C-C-C = 88.8 (4)° in each ligand]. The packing of the mol-ecules is controlled by π-π inter-actions, with centroid-centroid distances of 3.625 (3) and 3.711 (2) Å, forming chains approximately parallel to (102). The crystal studied was non-merohedrally twinned (twin relationship between the domains 1 0 0, 0 1 0, -0.4672 -0.1864 -1 and batch scale factor of 7.39%).
Acta Crystallographica Section E Structure Reports Online 01/2010; 67(Pt 1):m103-4. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(24)H(19)NO(4)S, the benzocarbazole ring system is planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.54 (4)° with the sulfonyl-bound phenyl ring. Intra-molecular C-H⋯O inter-actions are observed. A C(8) chain running along the b axis is formed via inter-molecular C-H⋯O hydrogen bonds. The chains are linked via weak C-H⋯ π inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 5):o1071. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(13)H(22)N(2)O, the central imidazolidine ring is in an envelope conformation and the two cyclo-hexane rings adopt chair conformations. In the crystal structure, the mol-ecules are linked into centrosymmetric R(2) (2)(8) dimers by pairs of N-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 5):o1072. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: The title compound, C(9)H(8)N(4), crystallizes with three independent mol-ecules (A, B and C) per asymmetric unit. The independent mol-ecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in mol-ecules A, B and C being 4.8 (2), 9.7 (2) and 7.2 (2)°, respectively. In the crystal, the independent mol-ecules are linked into a trimer by C-H⋯N hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 3):o558. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, [ZnCl(2)(C(9)H(13)NO)(2)], the Zn(II) ion is coordinated by two Cl(-) anions and two O atoms of two zwitterionic organic ligands in a distorted tetra-hedral arrangement. In the crystal, mol-ecules are linked into sheets parallel to the bc plane by C-H⋯Cl and C-H⋯O hydrogen bonds and weak π-π inter-actions [centroid-centroid distance = 3.669 (1) Å].
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 11):m1448. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(23)H(26)ClNO(4), the piperidine ring adopts a distorted boat conformation. The two methoxy-phenyl groups at the 2 and 6 positions of the piperidine ring are in axial and equatorial orientations. An intra-molecular C-H⋯Cl inter-action is observed. In the crystal, the mol-ecules are linked into zigzag chains along the b axis by C-H⋯π inter-molecular inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2793. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(19)H(21)NO, the piperidine ring adopts a chair conformation. The two phenyl rings attached to the piperidine ring at 2 and 6 positions occupy equatorial orientations and the dihedral angle between them is 57.53 (11)°. In the crystal, the mol-ecules are connected via weak inter-molecular C-H⋯π inter-actions, leading to a zigzag chains.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2794. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(18)H(21)NO(3), which belongs to the family of calcium channel blockers, the dihydropyridine ring assumes a flattened boat conformation. The two carbonyl units adopt a synperiplanar conformation with respect to the double bonds in the dihydro-pyridine ring. The methoxy-phenyl ring is almost perpendicular to the prydine ring [dihedral angle = 89.01 (7)°]. In the crystal, the mol-ecules are connected by inter-molecular N-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2795. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(22)H(26)BrNO(6), the indole ring system is planar [maximum deviation 0.029 (2) Å]. The tert-butyl bound carboxyl-ate group forms a dihedral angle of 17.54 (8)° with the indole ring system. In the crystal, mol-ecules are linked into centrosymmetric R(2) (2)(10) dimers by paired C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2796. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(26)H(26)N(2)O(2), the piperidinone ring adopts a distorted boat conformation. The two phenyl rings substituted at positions 2 and 6 of the piperidinone ring occupy axial and equatorial orientations, which are approximately perpendicular to each other [89.14 (8)°]. The phenyl-carbamoyl group adopts an extended conformation. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 11):o2808. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(24)H(25)NO(8)S, the indole unit is planar and makes a dihedral angle of 79.73 (11)° with the phenyl ring of the sulfonyl substituent. The mol-ecules in the unit cell are stabilized by C-H⋯O and C-H⋯π inter-molecular inter-actions in addition to van der Waals forces.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 2):o264. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(20)H(19)NO(4)S, the indole ring system is planar [r.m.s. deviation = 0.023 (2) Å]. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system [dihedral angle = 86.75 (7)°]. The ester group is almost planar (r.m.s. deviation = 0.030 Å) and is oriented at an angle of 62.53 (5)° with respect to the indole ring system. Mol-ecules are linked into a two-dimensional network parallel to the ab plane by inter-molecular C-H⋯O hydrogen bonds.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 2):o431. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(22)H(27)NO(6), the indole ring system is planar and the ethoxy-carbonyl chains adopt extended conformations. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds occur, resulting in R(2) (2)(16) dimers, which are inter-linked into a chain propagating along the a axis by π-π stacking inter-actions [centroid-centroid distance 3.5916 (9) Å].
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 4):o825. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(23)H(21)NO(3)S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both mol-ecules [dihedral angles = 85.42 (8) and 88.30 (9)°]. C-H⋯O inter-actions between mol-ecules stabilize the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 4):o847. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(24)H(25)NO(7)S, the sulfonyl-bound phenyl ring is approximately perpendicular to the indole ring system [dihedral angle = 87.72 (5)°]. The methyl group of one of the ester units is disordered over two positions with occupancies of 0.527 (13) and 0.473 (13). An intra-molecular C-H⋯O hydrogen bond is observed. In the crystal structure, mol-ecules are linked into a ribbon structure running along the c axis by inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions involving the pyrrole ring.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 6):o1418-9. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title mol-ecule, C(21)H(24)N(2)O(4), the piperidine ring adopts a distorted boat conformation with the ethyl substituent in the axial position. The dihedral angle between the two benzene rings is 70.25 (9)°. An intra-molecular C-H⋯O inter-action is observed. In the crystal, mol-ecules are linked into a chain along the c axis by C-H⋯O hydrogen bonds and the chains are linked via weak C-H⋯π inter-actions.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 8):o1765. · 0.35 Impact Factor
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(15)H(18)N(2)O(5)·H(2)O, the pyrimidine ring adopts a flattened-boat conformation. The eth-oxy group attached to the benzene ring is in an extended conformation. The oxopyrimidine mol-ecules are linked into centrosymmetric R(2) (2)(20) dimers by O-H⋯O hydrogen bonds. The dimers are linked by N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. Adjacent networks are cross-linked via N-H⋯O and O-H⋯O hydrogen bonds involving the water mol-ecules.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 8):o1921-2. · 0.35 Impact Factor
-
Acta Crystallographica Section E-structure Reports Online - ACTA CRYSTALLOGR E-STRUCT REP. 01/2009; 65(11).
-
[show abstract]
[hide abstract]
ABSTRACT: In the title compound, C(23)H(25)Cl(2)NO(4), the piperidine ring adopts a distorted boat conformation. Inversion-related mol-ecules are linked into centrosymmetric R(2) (2)(16) dimers by paired C-H⋯O hydrogen bonds, and the dimers are connected via C-H⋯O hydrogen bonds into a chain running along [101].
Acta Crystallographica Section E Structure Reports Online 01/2008; 65(Pt 1):o11. · 0.35 Impact Factor
