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N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate.

ABSTRACT: In the title compound, C(16)H(13)ClN(2)OS·H(2)O, the dihedral angle between the mean planes of the benzothia-zole ring system and the methylphenyl ring is 79.3?(6)°. The crystal packing features inter-molecular O-H?N, O-H?O and N-H?O hydrogen bonds involving the water mol-ecule and weak C-H?O, C-H?Cg and ?-? stacking inter-actions [centroid-centroid distances = 3.8743?(7), 3.7229?(7) and 3.7076?(8)?Å].

SUBMITTER: Praveen AS

PROVIDER: S-EPMC3201351 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate.

Praveen A S AS Jasinski Jerry P JP Golen James A JA Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the title compound, C(16)H(13)ClN(2)OS·H(2)O, the dihedral angle between the mean planes of the benzothia-zole ring system and the methylphenyl ring is 79.3 (6)°. The crystal packing features inter-molecular O-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds involving the water mol-ecule and weak C-H⋯O, C-H⋯Cg and π-π stacking inter-actions [centroid-centroid distances = 3.8743 (7), 3.7229 (7) and 3.7076 (8) Å]. ...[more]

PMID: 22064942

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