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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, Shetty N - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.

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Affiliation: Department of Physics, S. D. M College (Autonomous), Ujire 574 240, India.

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.

No MeSH data available.


A view of the molecular structure of title compound, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: A view of the molecular structure of title compound, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level.


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

Satheeshchandra S, Shetty N - Acta Crystallogr E Crystallogr Commun (2015)

A view of the molecular structure of title compound, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645062&req=5

Fap1: A view of the molecular structure of title compound, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, S. D. M College (Autonomous), Ujire 574 240, India.

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.

No MeSH data available.