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(2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one
The title compound, C(16)H(13)NO(3), crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bond...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2007
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2914892/ https://www.ncbi.nlm.nih.gov/pubmed/21200665 http://dx.doi.org/10.1107/S160053680706182X |
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author | Jasinski, Jerry P. Butcher, Ray J. Narayana, B. Lakshmana, K. Yathirajan, H. S. |
author_facet | Jasinski, Jerry P. Butcher, Ray J. Narayana, B. Lakshmana, K. Yathirajan, H. S. |
author_sort | Jasinski, Jerry P. |
collection | PubMed |
description | The title compound, C(16)H(13)NO(3), crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitrophenyl group of both independent molecules link the molecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking interactions between the 4-methylphenyl ring of molecule A and the 3-nitrophenyl ring of molecule B of the adjacent layer, with the distance between the centroids of interacting rings being 3.6987 (7) Å. |
format | Text |
id | pubmed-2914892 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29148922010-12-30 (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one Jasinski, Jerry P. Butcher, Ray J. Narayana, B. Lakshmana, K. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(13)NO(3), crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitrophenyl group of both independent molecules link the molecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking interactions between the 4-methylphenyl ring of molecule A and the 3-nitrophenyl ring of molecule B of the adjacent layer, with the distance between the centroids of interacting rings being 3.6987 (7) Å. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2914892/ /pubmed/21200665 http://dx.doi.org/10.1107/S160053680706182X Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html. |
spellingShingle | Organic Papers Jasinski, Jerry P. Butcher, Ray J. Narayana, B. Lakshmana, K. Yathirajan, H. S. (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title | (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title_full | (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title_fullStr | (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title_full_unstemmed | (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title_short | (2E)-3-(4-Methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
title_sort | (2e)-3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2914892/ https://www.ncbi.nlm.nih.gov/pubmed/21200665 http://dx.doi.org/10.1107/S160053680706182X |
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