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5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride

In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra­zol-1-ide mol­ecule, one half of an [Mg(H(2)O)(6)](2+) cation ([Image: see text] symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol­ecules, w...

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Autores principales: Dai, Jing, Chen, Xin-Yuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051589/
https://www.ncbi.nlm.nih.gov/pubmed/21522848
http://dx.doi.org/10.1107/S160053681005419X
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author Dai, Jing
Chen, Xin-Yuan
author_facet Dai, Jing
Chen, Xin-Yuan
author_sort Dai, Jing
collection PubMed
description In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra­zol-1-ide mol­ecule, one half of an [Mg(H(2)O)(6)](2+) cation ([Image: see text] symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol­ecules, with their O atoms located at the apices, exhibiting a slightly distorted octa­hedral coordination. Mg—O bond lengths range from 2.0526 (14) to 2.0965 (16) Å [mean value = 2.068 Å]. The pyridine and tetra­zole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68 (1)°. The zwitterionic organic mol­ecules, anions and cations are connected by O—H⋯Cl, O—H⋯N and N—H⋯Cl hydrogen bonds, leading to the formation of a three-dimensional network.
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spelling pubmed-30515892011-04-26 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride Dai, Jing Chen, Xin-Yuan Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, (C(6)H(5)N(5))(2)[Mg(H(2)O)(6)]Cl(2), the asymmetric unit contains one zwitterionic 5-(pyridinium-3-yl)tetra­zol-1-ide mol­ecule, one half of an [Mg(H(2)O)(6)](2+) cation ([Image: see text] symmetry) and one chloride ion. The Mg(II) ion is surrounded by six water mol­ecules, with their O atoms located at the apices, exhibiting a slightly distorted octa­hedral coordination. Mg—O bond lengths range from 2.0526 (14) to 2.0965 (16) Å [mean value = 2.068 Å]. The pyridine and tetra­zole rings are nearly coplanar and only twisted from each other by a dihedral angle of 5.68 (1)°. The zwitterionic organic mol­ecules, anions and cations are connected by O—H⋯Cl, O—H⋯N and N—H⋯Cl hydrogen bonds, leading to the formation of a three-dimensional network. International Union of Crystallography 2011-01-15 /pmc/articles/PMC3051589/ /pubmed/21522848 http://dx.doi.org/10.1107/S160053681005419X Text en © Dai and Chen 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 Metal-Organic Papers
Dai, Jing
Chen, Xin-Yuan
5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title_full 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title_fullStr 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title_full_unstemmed 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title_short 5-(Pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
title_sort 5-(pyridinium-3-yl)tetra­zol-1-ide hexa­aqua­magnesium dichloride
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051589/
https://www.ncbi.nlm.nih.gov/pubmed/21522848
http://dx.doi.org/10.1107/S160053681005419X
work_keys_str_mv AT daijing 5pyridinium3yltetrazol1idehexaaquamagnesiumdichloride
AT chenxinyuan 5pyridinium3yltetrazol1idehexaaquamagnesiumdichloride