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Crystal structure of (2E)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate
The title compound, C(17)H(11)BrO(2)·H(2)O, crystallizes as a monohydrate in the chiral orthorhombic space group P2(1)2(1)2(1), and has non-linear optical (NLO) properties. The molecule has an E conformation about the C=C bond and is relatively planar with the benzofuran and bromophenyl rings b...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645062/ https://www.ncbi.nlm.nih.gov/pubmed/26594555 http://dx.doi.org/10.1107/S2056989015018897 |
Sumario: | The title compound, C(17)H(11)BrO(2)·H(2)O, crystallizes as a monohydrate in the chiral orthorhombic space group P2(1)2(1)2(1), and has non-linear optical (NLO) properties. The molecule has an E conformation about the C=C bond and is relatively planar with the benzofuran and bromophenyl rings being inclined to one another by 10.60 (14)°. In the crystal, the water molecule is linked to the organic molecule 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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