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3-(2-Amino-1,3-thia-zol-4-yl)-6-chloro-2H-chromen-2-one.

ABSTRACT: The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The mol-ecular conformation is roughly planar for both these mol-ecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N-H⋯N and weak but highly directional C-H⋯O hydrogen bonds provide the links between the mol-ecules. The structure is further stabilised by aromatic π-π stacking inter-actions with centroid-centroid distances in the range 3.650 (3)-3.960 (3) Å.

SUBMITTER: Chopra D

PROVIDER: S-EPMC2971916 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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3-(2-Amino-1,3-thia-zol-4-yl)-6-chloro-2H-chromen-2-one.

Chopra Deepak D Choudhury A R AR Venugopala K N KN Govender Thavendran T Kruger Hendrik G HG Maguire Glenn E M GE Guru Row T N TN

Acta crystallographica. Section E, Structure reports online 20091118 Pt 12

The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The mol-ecular conformation is roughly planar for both these mol-ecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N-H⋯N and weak but highly directional C-H⋯O hydrogen bonds provide the links between the mol-ecules. The structure is further stabilised by aromatic π-π stacking inter-actions with centroid-centroid distances in the ra ...[more]

PMID: 21578837

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