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3-{2-[2-(3-Hy-droxy-benzyl-idene)hydrazin-1-yl]-1,3-thia-zol-4-yl}-2H-chromen-2-one hemihydrate.

ABSTRACT: In the title compound, C(19)H(13)N(3)O(3)S·0.5H(2)O, both organic mol-ecules (A and B) exist in E configurations with respect to the acyclic C=N bond and have similar overall conformations. In mol-ecule A, the essentially planar thia-zole ring [maximum deviation = 0.010?(2)?Å] is inclined at inter-planar angles of 11.44?(10) and 32.50?(12)°, with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for mol-ecule B are 0.002?(2)?Å, 7.71?(9) and 12.51?(12)°. In the crystal structure, neighbouring mol-ecules are inter-connected into infinite layers lying parallel to (010) by O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds. Further stabilization of the crystal structure is provided by weak inter-molecular C-H?? and ?-? [centroid-centroid distance = 3.6380?(19)?Å] inter-actions.

SUBMITTER: Arshad A

PROVIDER: S-EPMC2979574 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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3-{2-[2-(3-Hy-droxy-benzyl-idene)hydrazin-1-yl]-1,3-thia-zol-4-yl}-2H-chromen-2-one hemihydrate.

Arshad Afsheen A Osman Hasnah H Chan Kit Lam KL Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100529 Pt 6

In the title compound, C(19)H(13)N(3)O(3)S·0.5H(2)O, both organic mol-ecules (A and B) exist in E configurations with respect to the acyclic C=N bond and have similar overall conformations. In mol-ecule A, the essentially planar thia-zole ring [maximum deviation = 0.010 (2) Å] is inclined at inter-planar angles of 11.44 (10) and 32.50 (12)°, with the 2H-chromene ring system and the benzene ring, respectively. The equivalent values for mol-ecule B are 0.002 (2) Å, 7.71 (9) and 12.51 (12)°. In the ...[more]

PMID: 21579559

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