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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...

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Detalles Bibliográficos
Autores principales: Cai, Xing-Wei, Lu, Hong-Fei, Zhou, Zhen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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
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