rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)

In the crystal structure of the title mol­ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are ­linked through a carb­oxy­lic acid–isoquinoline O—H⋯N hydrogen bond. These mol­ecular pairs then inter-associate through the second acid group of the cis-cyclo­hexane-1,2-dicarb­oxy­lic acid molecu...

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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/PMC3200759/
https://www.ncbi.nlm.nih.gov/pubmed/22058919
http://dx.doi.org/10.1107/S1600536811030613
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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 crystal structure of the title mol­ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are ­linked through a carb­oxy­lic acid–isoquinoline O—H⋯N hydrogen bond. These mol­ecular pairs then inter-associate through the second acid group of the cis-cyclo­hexane-1,2-dicarb­oxy­lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb­oxy­lic acid–carboxyl O—H⋯O hydrogen-bonding association [graph-set R (2) (2)(8)], giving a zero-dimensional (cluster) structure, consisting of two of each species.
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spelling pubmed-32007592011-11-06 rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1) Smith, Graham Wermuth, Urs D. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title mol­ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are ­linked through a carb­oxy­lic acid–isoquinoline O—H⋯N hydrogen bond. These mol­ecular pairs then inter-associate through the second acid group of the cis-cyclo­hexane-1,2-dicarb­oxy­lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb­oxy­lic acid–carboxyl O—H⋯O hydrogen-bonding association [graph-set R (2) (2)(8)], giving a zero-dimensional (cluster) structure, consisting of two of each species. International Union of Crystallography 2011-08-06 /pmc/articles/PMC3200759/ /pubmed/22058919 http://dx.doi.org/10.1107/S1600536811030613 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.
rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title_full rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title_fullStr rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title_full_unstemmed rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title_short rac-cis-Cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
title_sort rac-cis-cyclo­hexane-1,2-dicarb­oxy­lic acid–isoquinoline (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200759/
https://www.ncbi.nlm.nih.gov/pubmed/22058919
http://dx.doi.org/10.1107/S1600536811030613
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