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Crystal structure of (2E)-1-(1-benzo-furan-2-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one monohydrate.

ABSTRACT: The title compound, C17H11BrO2·H2O, crystallizes as a monohydrate in the chiral ortho-rhom-bic space group P212121, and has non-linear optical (NLO) properties. The mol-ecule has an E conformation about the C=C bond and is relatively planar with the benzo-furan and bromo-phenyl rings being inclined to one another by 10.60?(14)°. In the crystal, the water mol-ecule is linked to the organic mol-ecule by O-H?O hydrogen bonds, forming an R (2) 2(7) ring motif while C-H?O hydrogen bonds lead to the formation of helices along the b-axis direction.

SUBMITTER: Satheeshchandra S

PROVIDER: S-EPMC4645062 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of (2E)-1-(1-benzo-furan-2-yl)-3-(2-bromo-phen-yl)prop-2-en-1-one monohydrate.

Satheeshchandra S S Shetty Nandakumar N

Acta crystallographica. Section E, Crystallographic communications 20151014 Pt 11

The title compound, C17H11BrO2·H2O, crystallizes as a monohydrate in the chiral ortho-rhom-bic space group P212121, and has non-linear optical (NLO) properties. The mol-ecule has an E conformation about the C=C bond and is relatively planar with the benzo-furan and bromo-phenyl rings being inclined to one another by 10.60 (14)°. In the crystal, the water mol-ecule is linked to the organic mol-ecule by O-H⋯O hydrogen bonds, forming an R (2) 2(7) ring motif while C-H⋯O hydrogen bonds lead to the f ...[more]

PMID: 26594555

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