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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...

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Autores principales: Zaidi, Syed Azeem Rashid Ali, Tahir, M. Nawaz, Iqbal, Javed, Chaudhary, Muhammad Ashraf
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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.
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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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