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2-Bromo-1-(3-nitrophenyl)ethanone
In the title compound, C(8)H(6)BrNO(3), there are two molecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the b...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050415/ https://www.ncbi.nlm.nih.gov/pubmed/21522741 http://dx.doi.org/10.1107/S1600536810049585 |
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author | Jasinski, Jerry P. Butcher, Ray J. Praveen, A. S. Yathirajan, H. S. Narayana, B. |
author_facet | Jasinski, Jerry P. Butcher, Ray J. Praveen, A. S. Yathirajan, H. S. Narayana, B. |
author_sort | Jasinski, Jerry P. |
collection | PubMed |
description | In the title compound, C(8)H(6)BrNO(3), there are two molecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively. An extensive array of weak C—H⋯O hydrogen bonds, π–π ring stacking [centroid–centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br intermolecular interactions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These interactions give rise to a variety of cyclic graph-set motifs and form interconnected sheets in the three-dimensional structure. |
format | Text |
id | pubmed-3050415 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30504152011-04-26 2-Bromo-1-(3-nitrophenyl)ethanone Jasinski, Jerry P. Butcher, Ray J. Praveen, A. S. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(6)BrNO(3), there are two molecules, A and B, in the asymmetric unit. The nitro and ethanone groups lie close to the plane of the benzene ring and the bromine atom is twisted slightly: the dihedral angles between the mean planes of the nitro and ethanone groups and the benzene ring are 4.6 (4) (A) and 2.8 (3) (B), and 0.8 (8) (A) and 5.5 (8)° (B), respectively. An extensive array of weak C—H⋯O hydrogen bonds, π–π ring stacking [centroid–centroid distances = 3.710 (5) and 3.677 (5) Å] and short non-hydrogen Br⋯O and O⋯Br intermolecular interactions [3.16 (6)and 3.06 (8) Å] contribute to the crystal stability, forming a supermolecular three-dimensional network structure along 110. These interactions give rise to a variety of cyclic graph-set motifs and form interconnected sheets in the three-dimensional structure. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050415/ /pubmed/21522741 http://dx.doi.org/10.1107/S1600536810049585 Text en © Jasinski et al. 2011 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 | Organic Papers Jasinski, Jerry P. Butcher, Ray J. Praveen, A. S. Yathirajan, H. S. Narayana, B. 2-Bromo-1-(3-nitrophenyl)ethanone |
title | 2-Bromo-1-(3-nitrophenyl)ethanone |
title_full | 2-Bromo-1-(3-nitrophenyl)ethanone |
title_fullStr | 2-Bromo-1-(3-nitrophenyl)ethanone |
title_full_unstemmed | 2-Bromo-1-(3-nitrophenyl)ethanone |
title_short | 2-Bromo-1-(3-nitrophenyl)ethanone |
title_sort | 2-bromo-1-(3-nitrophenyl)ethanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050415/ https://www.ncbi.nlm.nih.gov/pubmed/21522741 http://dx.doi.org/10.1107/S1600536810049585 |
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