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5-(1H-Tetrazol-5-yl)-1H-indole monohydrate
In the title compound, C(9)H(7)N(5)·H(2)O, the interplanar angles between the benzene and tetrazole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N—H⋯N hydrogen bonds link the organic 5-(1H-tetrazol-5-yl)-1H-indole molecules in...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120397/ https://www.ncbi.nlm.nih.gov/pubmed/21754912 http://dx.doi.org/10.1107/S1600536811018575 |
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author | Cai, Xing-Wei Lu, Hong-Fei Zhou, Zhen |
author_facet | Cai, Xing-Wei Lu, Hong-Fei Zhou, Zhen |
author_sort | Cai, Xing-Wei |
collection | PubMed |
description | In the title compound, C(9)H(7)N(5)·H(2)O, the interplanar angles between the benzene and tetrazole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N—H⋯N hydrogen bonds link the organic 5-(1H-tetrazol-5-yl)-1H-indole molecules into chains extended along the b axis. The chains are further interconnected into layers parallel to (100) via strong O—H⋯N and N—H⋯O hydrogen bonds. Furthermore, the layers are interconnected via strong O—H⋯N hydrogen bonds. Moreover, cohesion between the layers is provided by the π–π interactions between the imidazole, tetrazole and benzene rings with centroid–centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å. |
format | Online Article Text |
id | pubmed-3120397 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31203972011-07-13 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate Cai, Xing-Wei Lu, Hong-Fei Zhou, Zhen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(9)H(7)N(5)·H(2)O, the interplanar angles between the benzene and tetrazole rings and between the benzene and imidazole rings are 8.71 (3) and 1.32 (2)°, respectively. In the crystal, strong N—H⋯N hydrogen bonds link the organic 5-(1H-tetrazol-5-yl)-1H-indole molecules into chains extended along the b axis. The chains are further interconnected into layers parallel to (100) via strong O—H⋯N and N—H⋯O hydrogen bonds. Furthermore, the layers are interconnected via strong O—H⋯N hydrogen bonds. Moreover, cohesion between the layers is provided by the π–π interactions between the imidazole, tetrazole and benzene rings with centroid–centroid distances of 3.766 (2), 3.832 (2) and 3.733 (2) Å. International Union of Crystallography 2011-05-28 /pmc/articles/PMC3120397/ /pubmed/21754912 http://dx.doi.org/10.1107/S1600536811018575 Text en © Cai 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 Cai, Xing-Wei Lu, Hong-Fei Zhou, Zhen 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title | 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title_full | 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title_fullStr | 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title_full_unstemmed | 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title_short | 5-(1H-Tetrazol-5-yl)-1H-indole monohydrate |
title_sort | 5-(1h-tetrazol-5-yl)-1h-indole monohydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120397/ https://www.ncbi.nlm.nih.gov/pubmed/21754912 http://dx.doi.org/10.1107/S1600536811018575 |
work_keys_str_mv | AT caixingwei 51htetrazol5yl1hindolemonohydrate AT luhongfei 51htetrazol5yl1hindolemonohydrate AT zhouzhen 51htetrazol5yl1hindolemonohydrate |