Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate

In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol­ecules in a distorted octa­hedral geometry. In the crystal, inter­molecular O—H⋯O hy...

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Detalles Bibliográficos
Autores principales: Xu, Shuzhi, Shao, Wenxin, Yu, Miao, Gong, Guihua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120514/
https://www.ncbi.nlm.nih.gov/pubmed/21754660
http://dx.doi.org/10.1107/S1600536811018356
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author Xu, Shuzhi
Shao, Wenxin
Yu, Miao
Gong, Guihua
author_facet Xu, Shuzhi
Shao, Wenxin
Yu, Miao
Gong, Guihua
author_sort Xu, Shuzhi
collection PubMed
description In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol­ecules in a distorted octa­hedral geometry. In the crystal, inter­molecular O—H⋯O hydrogen bonds lead to a three-dimensional supra­molecular network. Intra­molecular O—H⋯N hydrogen bonds and π–π inter­actions between the benzene rings and between the benzene and triazole rings [centroid–centroid distances = 3.657 (1) and 3.752 (1) Å] are observed.
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spelling pubmed-31205142011-07-13 Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate Xu, Shuzhi Shao, Wenxin Yu, Miao Gong, Guihua Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Cu(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·2H(2)O, the Cu(II) atom lies on an inversion center and is six-coordinated by two N atoms from two 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol­ecules in a distorted octa­hedral geometry. In the crystal, inter­molecular O—H⋯O hydrogen bonds lead to a three-dimensional supra­molecular network. Intra­molecular O—H⋯N hydrogen bonds and π–π inter­actions between the benzene rings and between the benzene and triazole rings [centroid–centroid distances = 3.657 (1) and 3.752 (1) Å] are observed. International Union of Crystallography 2011-05-20 /pmc/articles/PMC3120514/ /pubmed/21754660 http://dx.doi.org/10.1107/S1600536811018356 Text en © Xu 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 Metal-Organic Papers
Xu, Shuzhi
Shao, Wenxin
Yu, Miao
Gong, Guihua
Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title_full Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title_fullStr Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title_full_unstemmed Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title_short Tetra­aqua­bis­[4-(4H-1,2,4-triazol-4-yl)benzoato-κN (1)]copper(II) dihydrate
title_sort tetra­aqua­bis­[4-(4h-1,2,4-triazol-4-yl)benzoato-κn (1)]copper(ii) dihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120514/
https://www.ncbi.nlm.nih.gov/pubmed/21754660
http://dx.doi.org/10.1107/S1600536811018356
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AT shaowenxin tetraaquabis44h124triazol4ylbenzoatokn1copperiidihydrate
AT yumiao tetraaquabis44h124triazol4ylbenzoatokn1copperiidihydrate
AT gongguihua tetraaquabis44h124triazol4ylbenzoatokn1copperiidihydrate

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