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1.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 5): o614, 2014 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-24860405

RESUMO

The mol-ecule of the title compound, C18H13NOS, is build up from two fused six-membered rings, with the heterocyclic component linked to a benzyl-idene group and to a prop-2-yn-1-yl chain. The six-membered heterocycle adopts a distorted screw-boat conformation. The prop-2-yn-1-yl chain is almost perpendicular to the mean plane through benzo-thia-zine as indicated by the C-N-C-C torsion angle of 86.5 (2)°. The dihedral angle between the benzene rings is 47.53 (12)°. There are no specific inter-molecular inter-actions in the crystal packing.

2.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 6): o641, 2014 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-24940228

RESUMO

In the title compound, C11H9NOS, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw-boat conformation. The benzene ring makes a dihedral angle of 79.4 (1)° with the mean plane through the prop-2-ynyl chain and the ring N atom. In the crystal, mol-ecules are linked by C-H⋯O inter-actions of the acetyl-enic C-H group towards the carbonyl O atom of a neighbouring mol-ecule, forming zigzag chains running along the b-axis direction.

3.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 2): o116, 2014 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-24764845

RESUMO

In the title compound, C15H16N4O3S, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thia-zine ring is 62.98 (11)°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)°]. In the crystal, mol-ecules are linked by pairs of C-H⋯O inter-actions, forming dimeric aggregates.

4.
Acta Crystallogr Sect E Struct Rep Online ; 70(Pt 2): o160-1, 2014 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-24764880

RESUMO

In the title compound, C18H16N4OS, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw-boat conformation. The dihedral angles between the plane through the triazole ring and those through the fused and terminal benzene rings are 76.68 (11) and 71.0 (1)°, respectively; the benzene rings are nearly perpendicular [dihedral angle = 79.6 (1)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O inter-actions, forming a three-dimensional network.

5.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 10): o2700, 2011 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-22064705

RESUMO

The central five-membered ring of the title compound, C(18)H(15)N(3)OS, is almost planar (r.m.s. deviation = 0.028 Å) and the benzothia-zole fused-ring system is close to coplanar with this ring [dihedral angle = 6.1 (1)°]. The phenyl substituent is twisted by 62.5 (1)°.

6.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 5): o1096, 2010 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-21579149

RESUMO

In the title compound, C(17)H(13)N(3)OS, the dihedral angle between the ring systems is 2.22 (5)°. The N-H grouping participates in both intra- and intermolecular N-H⋯O hydrogen bonds, the latter leading to dimers related by a twofold rotation axis.

7.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 6): o1332, 2010 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-21579422

RESUMO

In the title compound, C(18)H(26)N(4)OS, the imine C=N bond has a Z configuration, whereas the N-N-C=S unit has an E conformation. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds, forming zigzag chains running along the b axis. The nonyl chain adopts an extended zigzag conformation.

8.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 6): o1333, 2010 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-21579423

RESUMO

In the title 1-alkyl-isatin 3-thio-semicarbazone, C(19)H(28)N(4)OS, the imine C=N bond has a Z configuration, whereas the N-N-C=S unit has an E conformation. In the crystal, mol-ecules are connected by N-H⋯O hydrogen bonds, forming zigzag chains running along the b axis.

9.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 4): o857, 2010 Mar 17.
Artigo em Inglês | MEDLINE | ID: mdl-21580680

RESUMO

The title compound, C(16)H(13)NOS, was prepared by alkyl-ation of 1-(benzothia-zol-2-yl)propan-2-one with propargyl bromide. The asymmetric unit contains two mol-ecules that are crystallographically independent but linked to each other by non-classical C-H⋯O hydrogen bonds, building up a dimeric substructure. The benzothia-zole rings are essentially planar with maximum deviations of 0.005 (1) and 0.007 (2) Šfor the N atoms. Although the two mol-ecules have similar bond distances and angles, they slightly differ in the orientation of the benzothia-zole ring with respect to the two propargyl groups and the acetonyl unit . In the crystal, inter-molecular C-H⋯O inter-actions link the dimeric subunits into a two-dimensional array in the bc plane.

10.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 11): o2842, 2010 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-21589028

RESUMO

The title compound, C(20)H(17)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl)- and 2-phenyl substituents. The five-membered ring and fused ring system are planar, the r.m.s. deviations being 0.021 and 0.005 Å, respectively. The five-membered ring is aligned at 7.9 (2)° with respect to the fused-ring system. The allyl and phenyl parts of the mol-ecule are both disordered over two positions in a 1:1 ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

11.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 11): o2843, 2010 Oct 20.
Artigo em Inglês | MEDLINE | ID: mdl-21589029

RESUMO

The title compound, C(20)H(15)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl) and 2-phenyl substit-uents. The five-membered ring and the fused-ring system are close to planar, the r.m.s. deviations being 0.025 and 0.005 Å, respectively. The five-membered ring is aligned at 67.5 (1)° with respect to the phenyl ring and at 4.7 (1)° with respect to the fused-ring system. In the crystal, adjacent mol-ecules are linked through the acetyl-enic H atom by a C-H⋯O hydrogen bond into C(8) chains propagating in [010].

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