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4-(But-3-enylamino)-3-nitrobenzoic acid
The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969436/ https://www.ncbi.nlm.nih.gov/pubmed/21582843 http://dx.doi.org/10.1107/S1600536809021692 |
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author | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Osman, Hasnah Jebas, Samuel Robinson Fun, Hoong-Kun |
author_facet | Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Osman, Hasnah Jebas, Samuel Robinson Fun, Hoong-Kun |
author_sort | Narendra Babu, Shivanagere Nagojappa |
collection | PubMed |
description | The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule D. The orientation of the butyl group with respect to the rest of the molecule is different in some of the independent molecules, with the C—C—C—C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent molecule, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O—H⋯O hydrogen-bonded R (2) (2)(8) dimers. In addition, C—H⋯O hydrogen bonds are observed. |
format | Text |
id | pubmed-2969436 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29694362010-12-30 4-(But-3-enylamino)-3-nitrobenzoic acid Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Osman, Hasnah Jebas, Samuel Robinson Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(11)H(12)N(2)O(4), contains 12 crystallographically independent molecules, labelled A to L. The nitro and carboxyl groups are twisted slightly out of the plane of the attached benzene ring in all independent molecules except molecules G and D. The nitro group is coplanar with the benzene ring in molecule G and the carboxyl group is coplanar with the benzene ring in molecule D. The orientation of the butyl group with respect to the rest of the molecule is different in some of the independent molecules, with the C—C—C—C torsion angles varying from 104.2 (5) to 126.6 (7)°. In each independent molecule, an intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, the 12 independent molecules exist as six pairs of O—H⋯O hydrogen-bonded R (2) (2)(8) dimers. In addition, C—H⋯O hydrogen bonds are observed. International Union of Crystallography 2009-06-13 /pmc/articles/PMC2969436/ /pubmed/21582843 http://dx.doi.org/10.1107/S1600536809021692 Text en © Narendra Babu et al. 2009 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 Narendra Babu, Shivanagere Nagojappa Abdul Rahim, Aisyah Saad Osman, Hasnah Jebas, Samuel Robinson Fun, Hoong-Kun 4-(But-3-enylamino)-3-nitrobenzoic acid |
title | 4-(But-3-enylamino)-3-nitrobenzoic acid |
title_full | 4-(But-3-enylamino)-3-nitrobenzoic acid |
title_fullStr | 4-(But-3-enylamino)-3-nitrobenzoic acid |
title_full_unstemmed | 4-(But-3-enylamino)-3-nitrobenzoic acid |
title_short | 4-(But-3-enylamino)-3-nitrobenzoic acid |
title_sort | 4-(but-3-enylamino)-3-nitrobenzoic acid |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969436/ https://www.ncbi.nlm.nih.gov/pubmed/21582843 http://dx.doi.org/10.1107/S1600536809021692 |
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