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1-(4-Bromo-phen-yl)-2-ethyl-sulfinyl-2-(phenyl-selan-yl)ethanone monohydrate.

ABSTRACT: In the title hydrate, C(16)H(15)BrO(2)SSe·H(2)O, the sulfinyl O atom lies on the opposite side of the mol-ecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66?(17)° and are splayed with respect to each other. The observed conformation allows the water mol-ecules to bridge sulfinyl O atoms via O-H?O hydrogen bonds, generating a linear supra-molecular chain along the b axis; the chain is further stabilized by C-H?O contacts. The chains are held in place in the crystal structure by C?H?? and C-Br?? inter-actions.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC3089188 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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1-(4-Bromo-phen-yl)-2-ethyl-sulfinyl-2-(phenyl-selan-yl)ethanone monohydrate.

Zukerman-Schpector Julio J De Simone Carlos A CA Olivato Paulo R PR Cerqueira Carlos R CR Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the title hydrate, C(16)H(15)BrO(2)SSe·H(2)O, the sulfinyl O atom lies on the opposite side of the mol-ecule to the Se and carbonyl O atoms. The benzene rings form a dihedral angle of 51.66 (17)° and are splayed with respect to each other. The observed conformation allows the water mol-ecules to bridge sulfinyl O atoms via O-H⋯O hydrogen bonds, generating a linear supra-molecular chain along the b axis; the chain is further stabilized by C-H⋯O contacts. The chains are held in place in the cry ...[more]

PMID: 21754419

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