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1.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 4): o445, 2014 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-24826148

RESUMEN

The asymmetric unit of the title compound, C13H11ClN4O2S, contains two mol-ecules (A and B), in which the dihedral angles between the 1H-imidazo[4,5-c]pyridine system and terminal phenyl ring are 80.83 (10) and 62.34 (1)°. In the crystal, A-B dimers are linked by pairs of N-H⋯N hydrogen bonds, which generate R (2) 2(10) loops. The dimers are linked by C-H⋯O and C-H⋯Cl inter-actions, generating a three-dimensional network. Aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.5211 (12) Å] are also observed.

2.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 4): o499, 2014 Apr 01.
Artículo en Inglés | MEDLINE | ID: mdl-24826187

RESUMEN

In the title compound, C8H6ClN3O, the dihedral angle between the 1,2,4-triazole and benzene rings is 4.60 (9)° and an intra-molecular C-H⋯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops and C-H⋯O inter-actions link the dimers into [100] chains. Weak π-π stacking inter-actions [centroid-centroid distance = 3.644 (1) Å] are also observed.

3.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 1): o129, 2013 Jan 01.
Artículo en Inglés | MEDLINE | ID: mdl-23476389

RESUMEN

In the title compound, C18H18N2O, the morpholine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angles between the central benzene ring and the morpholine ring (all atoms) and the cyano-benzene ring are 87.87 (7) and 52.54 (7)°, respectively. No significant inter-molecular inter-actions are observed in the crystal structure.

4.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o192, 2013 Feb 01.
Artículo en Inglés | MEDLINE | ID: mdl-23424476

RESUMEN

In the title compound, C(16)H(17)NO(4)S(2), the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intra-molecular C-H⋯S hydrogen bond occurs. In the crystal, C-H⋯O hydrogen bonds generate R(2) (2)(8) rings and π-π inter-actions occur between fused benzene rings of the chromene system [shortest centroid-centroid distance = 3.5487 (8) Å].

5.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 11): o3167, 2012 Nov 01.
Artículo en Inglés | MEDLINE | ID: mdl-23284481

RESUMEN

In the title compound, C(20)H(19)N O(2)S(2),the 3Hbenzo-chromene ring system is nearly planar, with a maximum deviation of 0.036 (2) Å, and the piperidine ring adopts a chair conformation: the bond-angle sum for its N atom is 358.7°. The dihedral angle between the 3H-benzo[f]chromene ring and the piperidine ring is 89.07 (8)°. In the crystal, C-H⋯O hydrogen bonds lead to [010] C(6) chains and weak aromatic π-π inter-actions between the fused pyran ring and fused benzene ring of benzochromene [centroid-centroid distance = 3.652 (1) Å] are also observed.

6.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 3): o564, 2011 Feb 05.
Artículo en Inglés | MEDLINE | ID: mdl-21522327

RESUMEN

In the title compound, C(13)H(9)ClF(3)N, the quinoline ring system makes a dihedral angle of 88.8 (2)° with the cyclo-propyl ring.

7.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 10): o2658, 2010 Sep 30.
Artículo en Inglés | MEDLINE | ID: mdl-21587629

RESUMEN

In the title compound, C(16)H(12)O(4), the chromene ring system is almost planar [maximum deviation = 0.026 (1) Å] and makes dihedral angles of 1.24 (9) and 26.5 (2)° with the fused benzene ring and the plane of the ethyl carboxyl-ate group, respectively.

8.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 7): m772-3, 2010 Jun 16.
Artículo en Inglés | MEDLINE | ID: mdl-21587702

RESUMEN

The asymmetric unit of the title salt, (C(16)H(20)N(3)S)(2)[Co(NCS)(4)], comprises one monovalent isothio-pendylium cation and one-half of a divalent thio-cyanatocobaltate(II) anion (2 symmetry). The central thia-zine ring of the cation is slightly twisted in a boat-like fashion, with r.m.s. deviations from the mean plane of 0.272 (1) and 0.2852 (8) Šfor the N and S atoms. The mol-ecular structure of the cation is stabilized by an intra-molecular N-H⋯N hydrogen bond. Within the complex anion, the Co(II) atom is tetra-hedrally surrounded by four N atoms of the thio-cyanate ligands. π-π stacking, with a distance of 3.7615 (10) Šbetween the centroids of benzene and pyridine rings, helps to consolidate the packing.

9.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 7): o1742, 2010 Jun 23.
Artículo en Inglés | MEDLINE | ID: mdl-21587959

RESUMEN

In the title compound, C(20)H(15)F(6)N(3)O(2), the quinoline ring system is almost coplanar with the benzene ring; the dihedral angle between the two planes is 2.31 (8)°. The crystal structure displays an inter-molecular C-H⋯F hydrogen bond. In addition, a weak π-π inter-action is observed between the unfused benzene ring and the benzene ring of quinoline, with a centroid-centroid distance of 3.586 (1) Å.

10.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 9): o2237-8, 2010 Aug 11.
Artículo en Inglés | MEDLINE | ID: mdl-21588605

RESUMEN

In the title compound, C(17)H(10)F(6)N(4)·H(2)O, the pyridine ring is not coplanar with the quinoline ring system; the dihedral angle between the two planes is 21.3 (1)°. One of the trifluoro-methyl group is disordered over two orientations with occupancies of 0.70 (1) and 0.30 (1). The water mol-ecule is disordered over two positions with occupancies of 0.76 (1) and 0.24 (1). In the crystal, the water mol-ecule is linked to the main mol-ecule via N-H⋯O and C-H⋯O hydrogen bonds, and inversion-related pairs are linked via O-H⋯N hydrogen bonds. In addition, a weak π-π inter-action is observed between the pyridine ring and the pyridine ring of the quinoline unit, with a centroid-centroid distance of 3.650 (2) Å.

11.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 12): o3074, 2010 Nov 06.
Artículo en Inglés | MEDLINE | ID: mdl-21589383

RESUMEN

In the title compound, C(17)H(16)O(6), the two benzene rings form a dihedral angle of 54.95 (10)°. Only weak inter-molecular inter-actions are present in the crystal structure, viz. C-H⋯O hydrogen bonds and C-H⋯π inter-actions involving one of the benzene rings.

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