Bis(guanidinium) 4,5-dichloro­phthalate monohydrate

In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2−)·H(2)O, the planes of the carboxyl­ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42 (10) and 55.64 (9)°]. A duplex-sheet structure is formed through guanidinium–carbox...

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Detalles Bibliográficos
Autores principales: Smith, Graham, Wermuth, Urs D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152114/
https://www.ncbi.nlm.nih.gov/pubmed/21837049
http://dx.doi.org/10.1107/S1600536811021192
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author Smith, Graham
Wermuth, Urs D.
author_facet Smith, Graham
Wermuth, Urs D.
author_sort Smith, Graham
collection PubMed
description In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2−)·H(2)O, the planes of the carboxyl­ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42 (10) and 55.64 (9)°]. A duplex-sheet structure is formed through guanidinium–carboxyl­ate N—H⋯O, guanidinium–water N—H⋯O and water–carboxyl­ate O—H⋯O hydrogen-bonding associations.
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spelling pubmed-31521142011-08-11 Bis(guanidinium) 4,5-dichloro­phthalate monohydrate Smith, Graham Wermuth, Urs D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2−)·H(2)O, the planes of the carboxyl­ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42 (10) and 55.64 (9)°]. A duplex-sheet structure is formed through guanidinium–carboxyl­ate N—H⋯O, guanidinium–water N—H⋯O and water–carboxyl­ate O—H⋯O hydrogen-bonding associations. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3152114/ /pubmed/21837049 http://dx.doi.org/10.1107/S1600536811021192 Text en © Smith and Wermuth 2011 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
Smith, Graham
Wermuth, Urs D.
Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title_full Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title_fullStr Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title_full_unstemmed Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title_short Bis(guanidinium) 4,5-dichloro­phthalate monohydrate
title_sort bis(guanidinium) 4,5-dichloro­phthalate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152114/
https://www.ncbi.nlm.nih.gov/pubmed/21837049
http://dx.doi.org/10.1107/S1600536811021192
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AT wermuthursd bisguanidinium45dichlorophthalatemonohydrate

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