5-(4-Chloro­phen­yl)-1H-tetra­zole

The two independent mol­ecules of the title compound, C(7)H(5)ClN(4), both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)°], whereas the other is s...

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Detalles Bibliográficos
Autores principales: Xu, Liang, Gu, Li-Yan, Zhao, Dan-Yu, Wang, Bing, Kang, Ting-Guo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983818/
https://www.ncbi.nlm.nih.gov/pubmed/21580587
http://dx.doi.org/10.1107/S1600536810003788
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author Xu, Liang
Gu, Li-Yan
Zhao, Dan-Yu
Wang, Bing
Kang, Ting-Guo
author_facet Xu, Liang
Gu, Li-Yan
Zhao, Dan-Yu
Wang, Bing
Kang, Ting-Guo
author_sort Xu, Liang
collection PubMed
description The two independent mol­ecules of the title compound, C(7)H(5)ClN(4), both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)°], whereas the other is significantly twisted [dihedral angle = 17.38 (6)°]. In the crystal, adjacent mol­ecules are linked by N—H⋯N hydrogen bonds into a chain structure.
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spelling pubmed-29838182010-12-30 5-(4-Chloro­phen­yl)-1H-tetra­zole Xu, Liang Gu, Li-Yan Zhao, Dan-Yu Wang, Bing Kang, Ting-Guo Acta Crystallogr Sect E Struct Rep Online Organic Papers The two independent mol­ecules of the title compound, C(7)H(5)ClN(4), both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)°], whereas the other is significantly twisted [dihedral angle = 17.38 (6)°]. In the crystal, adjacent mol­ecules are linked by N—H⋯N hydrogen bonds into a chain structure. International Union of Crystallography 2010-03-03 /pmc/articles/PMC2983818/ /pubmed/21580587 http://dx.doi.org/10.1107/S1600536810003788 Text en © Xu 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
Xu, Liang
Gu, Li-Yan
Zhao, Dan-Yu
Wang, Bing
Kang, Ting-Guo
5-(4-Chloro­phen­yl)-1H-tetra­zole
title 5-(4-Chloro­phen­yl)-1H-tetra­zole
title_full 5-(4-Chloro­phen­yl)-1H-tetra­zole
title_fullStr 5-(4-Chloro­phen­yl)-1H-tetra­zole
title_full_unstemmed 5-(4-Chloro­phen­yl)-1H-tetra­zole
title_short 5-(4-Chloro­phen­yl)-1H-tetra­zole
title_sort 5-(4-chloro­phen­yl)-1h-tetra­zole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983818/
https://www.ncbi.nlm.nih.gov/pubmed/21580587
http://dx.doi.org/10.1107/S1600536810003788
work_keys_str_mv AT xuliang 54chlorophenyl1htetrazole
AT guliyan 54chlorophenyl1htetrazole
AT zhaodanyu 54chlorophenyl1htetrazole
AT wangbing 54chlorophenyl1htetrazole
AT kangtingguo 54chlorophenyl1htetrazole

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