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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...

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Autores principales: Narendra Babu, Shivanagere Nagojappa, Abdul Rahim, Aisyah Saad, Osman, Hasnah, Jebas, Samuel Robinson, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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