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2-Carboxyanilinium chloride monohydrate
In the molecule of the title compound, C(7)H(8)NO(2) (+)·Cl(−)·H(2)O, an intramolecular N—H⋯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, intermolecular O—H⋯O and N—H⋯Cl hydrogen bonds link the molecul...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959323/ https://www.ncbi.nlm.nih.gov/pubmed/21201160 http://dx.doi.org/10.1107/S1600536808029267 |
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author | Zaidi, Syed Azeem Rashid Ali Tahir, M. Nawaz Iqbal, Javed Chaudhary, Muhammad Ashraf |
author_facet | Zaidi, Syed Azeem Rashid Ali Tahir, M. Nawaz Iqbal, Javed Chaudhary, Muhammad Ashraf |
author_sort | Zaidi, Syed Azeem Rashid Ali |
collection | PubMed |
description | In the molecule of the title compound, C(7)H(8)NO(2) (+)·Cl(−)·H(2)O, an intramolecular N—H⋯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, intermolecular O—H⋯O and N—H⋯Cl hydrogen bonds link the molecules. There is a C=O⋯π contact between the carbonyl unit and the centroid of the benzene ring. There is a C=O⋯π contact [C⋯Cg = 3.5802 (18), C—O⋯Cg = 89 (1)°] between the carbonyl unit and the centroid of the benzene ring. |
format | Text |
id | pubmed-2959323 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29593232010-12-30 2-Carboxyanilinium chloride monohydrate Zaidi, Syed Azeem Rashid Ali Tahir, M. Nawaz Iqbal, Javed Chaudhary, Muhammad Ashraf Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(7)H(8)NO(2) (+)·Cl(−)·H(2)O, an intramolecular N—H⋯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, intermolecular O—H⋯O and N—H⋯Cl hydrogen bonds link the molecules. There is a C=O⋯π contact between the carbonyl unit and the centroid of the benzene ring. There is a C=O⋯π contact [C⋯Cg = 3.5802 (18), C—O⋯Cg = 89 (1)°] between the carbonyl unit and the centroid of the benzene ring. International Union of Crystallography 2008-09-17 /pmc/articles/PMC2959323/ /pubmed/21201160 http://dx.doi.org/10.1107/S1600536808029267 Text en © Zaidi et al. 2008 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 Zaidi, Syed Azeem Rashid Ali Tahir, M. Nawaz Iqbal, Javed Chaudhary, Muhammad Ashraf 2-Carboxyanilinium chloride monohydrate |
title | 2-Carboxyanilinium chloride monohydrate |
title_full | 2-Carboxyanilinium chloride monohydrate |
title_fullStr | 2-Carboxyanilinium chloride monohydrate |
title_full_unstemmed | 2-Carboxyanilinium chloride monohydrate |
title_short | 2-Carboxyanilinium chloride monohydrate |
title_sort | 2-carboxyanilinium chloride monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959323/ https://www.ncbi.nlm.nih.gov/pubmed/21201160 http://dx.doi.org/10.1107/S1600536808029267 |
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