Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate

The asymmetric unit of the title compound, C(8)H(11)N(3) (2+)·2Cl(−)·H(2)O, contains three organic cations, six chloride anions and three water mol­ecules of crystallization, which are connected by extensive hydrogen-bonding inter­actions into a three-dimensional supra­molecular architecture. Hirshf...

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Autores principales: Sen, Pinar, Kansiz, Sevgi, Dege, Necmi, Yildiz, S. Zeki, Tsapyuk, Galyna G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176449/
https://www.ncbi.nlm.nih.gov/pubmed/30319814
http://dx.doi.org/10.1107/S205698901801335X
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author Sen, Pinar
Kansiz, Sevgi
Dege, Necmi
Yildiz, S. Zeki
Tsapyuk, Galyna G.
author_facet Sen, Pinar
Kansiz, Sevgi
Dege, Necmi
Yildiz, S. Zeki
Tsapyuk, Galyna G.
author_sort Sen, Pinar
collection PubMed
description The asymmetric unit of the title compound, C(8)H(11)N(3) (2+)·2Cl(−)·H(2)O, contains three organic cations, six chloride anions and three water mol­ecules of crystallization, which are connected by extensive hydrogen-bonding inter­actions into a three-dimensional supra­molecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (37.4%), Cl⋯H/H⋯Cl (35.5%), C⋯H/H⋯C (9.5%) and C⋯C (6.9%) inter­actions.
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spelling pubmed-61764492018-10-12 Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate Sen, Pinar Kansiz, Sevgi Dege, Necmi Yildiz, S. Zeki Tsapyuk, Galyna G. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, C(8)H(11)N(3) (2+)·2Cl(−)·H(2)O, contains three organic cations, six chloride anions and three water mol­ecules of crystallization, which are connected by extensive hydrogen-bonding inter­actions into a three-dimensional supra­molecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (37.4%), Cl⋯H/H⋯Cl (35.5%), C⋯H/H⋯C (9.5%) and C⋯C (6.9%) inter­actions. International Union of Crystallography 2018-09-28 /pmc/articles/PMC6176449/ /pubmed/30319814 http://dx.doi.org/10.1107/S205698901801335X Text en © Sen et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Sen, Pinar
Kansiz, Sevgi
Dege, Necmi
Yildiz, S. Zeki
Tsapyuk, Galyna G.
Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title_full Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title_fullStr Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title_short Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1H-benzimidazol-3-ium chloride monohydrate
title_sort crystal structure and hirshfeld surface analysis and of 2-ammoniumylmeth­yl-1h-benzimidazol-3-ium chloride monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176449/
https://www.ncbi.nlm.nih.gov/pubmed/30319814
http://dx.doi.org/10.1107/S205698901801335X
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