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3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate.

ABSTRACT: In the title compound, C(10)H(6)N(4)O(5)S·H(2)O, the thia-zole ring is twisted at a dihedral angle of 25.87?(7)° with respect to the benzene ring. The water mol-ecule is linked with the benzamide mol-ecules via N-H?O, O-H?N and O-H?O hydrogen bonds. In the crystal, ?-? stacking is observed between nearly parallel [dihedral angle = 7.02?(7)°] thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distances being 3.7107?(9) and 3.7158?(9)?Å, respectively.

SUBMITTER: Saeed S

PROVIDER: S-EPMC3052084 | biostudies-other | 2011

REPOSITORIES: biostudies-other

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3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate.

Saeed Sohail S Rashid Naghmana N Wong Wing-Tak WT Hussain Rizwan R

Acta crystallographica. Section E, Structure reports online 20110219 Pt 3

In the title compound, C(10)H(6)N(4)O(5)S·H(2)O, the thia-zole ring is twisted at a dihedral angle of 25.87 (7)° with respect to the benzene ring. The water mol-ecule is linked with the benzamide mol-ecules via N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 7.02 (7)°] thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distances being 3.7107 (9) and 3.7158 (9) Å, respectively. ...[more]

PMID: 21522411

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