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...

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Detalles Bibliográficos
Autores principales: Satheeshchandra, S., Shetty, Nandakumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
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
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author Satheeshchandra, S.
Shetty, Nandakumar
author_facet Satheeshchandra, S.
Shetty, Nandakumar
author_sort Satheeshchandra, S.
collection PubMed
description 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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spelling pubmed-46450622015-11-20 Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate Satheeshchandra, S. Shetty, Nandakumar Acta Crystallogr E Crystallogr Commun Data Reports 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. International Union of Crystallography 2015-10-14 /pmc/articles/PMC4645062/ /pubmed/26594555 http://dx.doi.org/10.1107/S2056989015018897 Text en © Satheeshchandra and Shetty 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Satheeshchandra, S.
Shetty, Nandakumar
Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title_full Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title_fullStr Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title_full_unstemmed Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title_short Crystal structure of (2E)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
title_sort crystal structure of (2e)-1-(1-benzo­furan-2-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one monohydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645062/
https://www.ncbi.nlm.nih.gov/pubmed/26594555
http://dx.doi.org/10.1107/S2056989015018897
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