2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate

In the crystal of the title compound, C(8)H(12)N(5) (+)·C(4)H(5)O(4) (−)·CH(3)OH, the hydrogen succinate anions form infinite [010] chains via short, almost symmetrical, O⋯H⋯O hydrogen bonds. The 2-phenyl­biguanidium cations inter­connect these chains into layers lying parallel to the bc plane by wa...

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Detalles Bibliográficos
Autores principales: Matulková, Irena, Císařová, Ivana, Němec, Ivan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011512/
https://www.ncbi.nlm.nih.gov/pubmed/21589482
http://dx.doi.org/10.1107/S160053681004585X
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author Matulková, Irena
Císařová, Ivana
Němec, Ivan
author_facet Matulková, Irena
Císařová, Ivana
Němec, Ivan
author_sort Matulková, Irena
collection PubMed
description In the crystal of the title compound, C(8)H(12)N(5) (+)·C(4)H(5)O(4) (−)·CH(3)OH, the hydrogen succinate anions form infinite [010] chains via short, almost symmetrical, O⋯H⋯O hydrogen bonds. The 2-phenyl­biguanidium cations inter­connect these chains into layers lying parallel to the bc plane by way of N—H⋯O links. These planes only weakly inter­act in the direction of the a axis via C—H⋯π contacts between offset phenyl rings, leaving as much as 17% of the unit-cell volume accessible for the solvent. However, the methanol solvent mol­ecules could not be resolved due to extensive disorder and their assumed presence was removed from the overall scattering by the PLATON SQUEEZE procedure.
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spelling pubmed-30115122010-12-30 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate Matulková, Irena Císařová, Ivana Němec, Ivan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal of the title compound, C(8)H(12)N(5) (+)·C(4)H(5)O(4) (−)·CH(3)OH, the hydrogen succinate anions form infinite [010] chains via short, almost symmetrical, O⋯H⋯O hydrogen bonds. The 2-phenyl­biguanidium cations inter­connect these chains into layers lying parallel to the bc plane by way of N—H⋯O links. These planes only weakly inter­act in the direction of the a axis via C—H⋯π contacts between offset phenyl rings, leaving as much as 17% of the unit-cell volume accessible for the solvent. However, the methanol solvent mol­ecules could not be resolved due to extensive disorder and their assumed presence was removed from the overall scattering by the PLATON SQUEEZE procedure. International Union of Crystallography 2010-11-17 /pmc/articles/PMC3011512/ /pubmed/21589482 http://dx.doi.org/10.1107/S160053681004585X Text en © Matulková et al. 2010 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
Matulková, Irena
Císařová, Ivana
Němec, Ivan
2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title_full 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title_fullStr 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title_full_unstemmed 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title_short 2-Phenyl­biguanidinium hydrogen succinate methanol monosolvate
title_sort 2-phenyl­biguanidinium hydrogen succinate methanol monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011512/
https://www.ncbi.nlm.nih.gov/pubmed/21589482
http://dx.doi.org/10.1107/S160053681004585X
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AT cisarovaivana 2phenylbiguanidiniumhydrogensuccinatemethanolmonosolvate
AT nemecivan 2phenylbiguanidiniumhydrogensuccinatemethanolmonosolvate

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