Crystal structure of (2E)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate
| Autor: | Nandakumar Shetty, S. Satheeshchandra |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Quantitative Biology::Biomolecules
crystal structure Hydrogen bond benzofuran NLO properties General Chemistry Crystal structure benzofuran hydrogen bonding Condensed Matter Physics Bioinformatics Ring (chemistry) Data Reports chiral lcsh:Chemistry Crystal chemistry.chemical_compound Crystallography lcsh:QD1-999 chemistry Furan General Materials Science Physics::Chemical Physics Benzofuran |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 11, Pp o840-o841 (2015) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| DOI: | 10.1107/s2056989015018897 |
| Popis: | The title compound, C17H11BrO2·H2O, crystallizes as a monohydrate in the chiral orthorhombic space groupP212121, and has non-linear optical (NLO) properties. The molecule has anEconformation 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 anR22(7) ring motif while C—H...O hydrogen bonds lead to the formation of helices along theb-axis direction. |
| Databáze: | OpenAIRE |
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