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5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia-diazol-2(3H)-one monohydrate.

ABSTRACT: In the title hydrate, C13H10N4O2S·H2O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia-diazole rings are 9.93?(8) and 4.56?(7)°, respectively. In the crystal, the components are linked by N-H?O, O-H?N and O-H?O hydrogen bonds, generating [100] chains incorporating R 4 (4)(10) loops. A weak C-H?O inter-action helps to consolidate the packing.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3648319 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia-diazol-2(3H)-one monohydrate.

Asiri Abdullah M AM Arshad Muhammad Nadeem MN Obaid Abdullah Y AY Mustafa Ghulam G

Acta crystallographica. Section E, Structure reports online 20130427 Pt 5

In the title hydrate, C13H10N4O2S·H2O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia-diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating [100] chains incorporating R 4 (4)(10) loops. A weak C-H⋯O inter-action helps to consolidate the packing. ...[more]

PMID: 23723939

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