Cargando…
Bis(benzimidazol-1-yl)methane dihydrate
The bis(benzimidazol-1-yl)methane molecule of the title compound, C(15)H(12)N(4)·2H(2)O, displays a trans conformation with a twofold axis running through the methylene C atom. Two adjacent water molecules are bonded to this molecule through O—H⋯N hydrogen bonds, forming a trimer. Adjacent trime...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213524/ https://www.ncbi.nlm.nih.gov/pubmed/22091103 http://dx.doi.org/10.1107/S1600536811027966 |
_version_ | 1782216142996111360 |
---|---|
author | Fang, Yuping Jin, Shouwen Chen, Bingxia Ge, Yushuang Yin, Huabing |
author_facet | Fang, Yuping Jin, Shouwen Chen, Bingxia Ge, Yushuang Yin, Huabing |
author_sort | Fang, Yuping |
collection | PubMed |
description | The bis(benzimidazol-1-yl)methane molecule of the title compound, C(15)H(12)N(4)·2H(2)O, displays a trans conformation with a twofold axis running through the methylene C atom. Two adjacent water molecules are bonded to this molecule through O—H⋯N hydrogen bonds, forming a trimer. Adjacent trimers are connected together via C—H⋯O interactions, forming a chain running along the b-axis direction. Two such chains are joined together via π–π interactions [centroid–centroid distance = 3.556 (2) Å], forming double chains, which are connected via the water molecules through C—H⋯O associations, forming a sheet structure. The sheets are stacked on top of each other along the a-axis direction and connected through O—H⋯O and C—H⋯O interactions, forming a three-dimensional ABAB layer network structure. |
format | Online Article Text |
id | pubmed-3213524 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32135242011-11-16 Bis(benzimidazol-1-yl)methane dihydrate Fang, Yuping Jin, Shouwen Chen, Bingxia Ge, Yushuang Yin, Huabing Acta Crystallogr Sect E Struct Rep Online Organic Papers The bis(benzimidazol-1-yl)methane molecule of the title compound, C(15)H(12)N(4)·2H(2)O, displays a trans conformation with a twofold axis running through the methylene C atom. Two adjacent water molecules are bonded to this molecule through O—H⋯N hydrogen bonds, forming a trimer. Adjacent trimers are connected together via C—H⋯O interactions, forming a chain running along the b-axis direction. Two such chains are joined together via π–π interactions [centroid–centroid distance = 3.556 (2) Å], forming double chains, which are connected via the water molecules through C—H⋯O associations, forming a sheet structure. The sheets are stacked on top of each other along the a-axis direction and connected through O—H⋯O and C—H⋯O interactions, forming a three-dimensional ABAB layer network structure. International Union of Crystallography 2011-07-23 /pmc/articles/PMC3213524/ /pubmed/22091103 http://dx.doi.org/10.1107/S1600536811027966 Text en © Fang et al. 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 Fang, Yuping Jin, Shouwen Chen, Bingxia Ge, Yushuang Yin, Huabing Bis(benzimidazol-1-yl)methane dihydrate |
title | Bis(benzimidazol-1-yl)methane dihydrate |
title_full | Bis(benzimidazol-1-yl)methane dihydrate |
title_fullStr | Bis(benzimidazol-1-yl)methane dihydrate |
title_full_unstemmed | Bis(benzimidazol-1-yl)methane dihydrate |
title_short | Bis(benzimidazol-1-yl)methane dihydrate |
title_sort | bis(benzimidazol-1-yl)methane dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213524/ https://www.ncbi.nlm.nih.gov/pubmed/22091103 http://dx.doi.org/10.1107/S1600536811027966 |
work_keys_str_mv | AT fangyuping bisbenzimidazol1ylmethanedihydrate AT jinshouwen bisbenzimidazol1ylmethanedihydrate AT chenbingxia bisbenzimidazol1ylmethanedihydrate AT geyushuang bisbenzimidazol1ylmethanedihydrate AT yinhuabing bisbenzimidazol1ylmethanedihydrate |