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

ABSTRACT: The mol-ecule of the title compound, C(12)H(7)BrN(2)O(2)S, is essentially planar with a maximum deviation of 0.234?(3)?Å from the mean plane through all non-H atoms. The dihedral angle between the coumarin ring plane and that of the five-membered thia-zole ring is 12.9?(1)°. In the crystal, strong N-H?O, N-H?N and weak but highly directional C-H?O hydrogen bonds provide the links between the mol-ecules. In addition, C-H?? and ?-? inter-actions [centroid-centroid distances = 3.950?(3)-4.024?(3)?Å] provide additional stability to the inter-layer regions in the lattice.

SUBMITTER: Chopra D

PROVIDER: S-EPMC2971769 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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3-(2-Amino-1,3-thia-zol-4-yl)-6-bromo-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 20091111 Pt 12

The mol-ecule of the title compound, C(12)H(7)BrN(2)O(2)S, is essentially planar with a maximum deviation of 0.234 (3) Å from the mean plane through all non-H atoms. The dihedral angle between the coumarin ring plane and that of the five-membered thia-zole ring is 12.9 (1)°. In the crystal, strong N-H⋯O, N-H⋯N and weak but highly directional C-H⋯O hydrogen bonds provide the links between the mol-ecules. In addition, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.950 (3)-4.024 (3) Å ...[more]

PMID: 21578780

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