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Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate

The asymmetric unit of the title complex, [Ni(C(12)H(8)N(2))(3)][NiCl(3)(C(7)H(12)N(2)S)](2)·2CH(3)CN, consists of one anion, one-half of a cation and one acetonitrile mol­ecule. The Ni(II) atom in the [Ni(phen)(3)](2+) cation (phen is 1,10-phenanthroline) lies on an inversion centre in an octa­hedr...

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Autores principales: Singh, Udai P., Aggarwal, Vaibhave
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961703/
https://www.ncbi.nlm.nih.gov/pubmed/21202789
http://dx.doi.org/10.1107/S1600536808018060
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author Singh, Udai P.
Aggarwal, Vaibhave
author_facet Singh, Udai P.
Aggarwal, Vaibhave
author_sort Singh, Udai P.
collection PubMed
description The asymmetric unit of the title complex, [Ni(C(12)H(8)N(2))(3)][NiCl(3)(C(7)H(12)N(2)S)](2)·2CH(3)CN, consists of one anion, one-half of a cation and one acetonitrile mol­ecule. The Ni(II) atom in the [Ni(phen)(3)](2+) cation (phen is 1,10-phenanthroline) lies on an inversion centre in an octa­hedral environment, whereas in the [NiCl(3)(tm)](−) anion [tm is 1-tert-butyl­imidazole-2(3H)-thione], the geometry is distorted tetra­hedral. In the crystal structure, inter­molecular C—H⋯Cl hydrogen bonds and π–π stacking inter­actions (centroid–centroid distance = 3.52 Å) lead to the formation of a three-dimensional framework. One of the methyl groups of the tert-butyl group of N-tert-butyl-2-thio­imidazole is disordered between two equally populated positions.
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spelling pubmed-29617032010-12-30 Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate Singh, Udai P. Aggarwal, Vaibhave Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title complex, [Ni(C(12)H(8)N(2))(3)][NiCl(3)(C(7)H(12)N(2)S)](2)·2CH(3)CN, consists of one anion, one-half of a cation and one acetonitrile mol­ecule. The Ni(II) atom in the [Ni(phen)(3)](2+) cation (phen is 1,10-phenanthroline) lies on an inversion centre in an octa­hedral environment, whereas in the [NiCl(3)(tm)](−) anion [tm is 1-tert-butyl­imidazole-2(3H)-thione], the geometry is distorted tetra­hedral. In the crystal structure, inter­molecular C—H⋯Cl hydrogen bonds and π–π stacking inter­actions (centroid–centroid distance = 3.52 Å) lead to the formation of a three-dimensional framework. One of the methyl groups of the tert-butyl group of N-tert-butyl-2-thio­imidazole is disordered between two equally populated positions. International Union of Crystallography 2008-06-19 /pmc/articles/PMC2961703/ /pubmed/21202789 http://dx.doi.org/10.1107/S1600536808018060 Text en © Singh and Aggarwal 2008 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
Singh, Udai P.
Aggarwal, Vaibhave
Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title_full Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title_fullStr Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title_full_unstemmed Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title_short Hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) N,N′)nickel(II) bis­{[1-tert-butyl­imidazole-2(3H)-thione-κS]trichloridonickelate(II)} acetonitrile disolvate
title_sort hydrogen-bonding and π–π stacking inter­actions in tris­(1,10-phenanthroline-κ(2) n,n′)nickel(ii) bis­{[1-tert-butyl­imidazole-2(3h)-thione-κs]trichloridonickelate(ii)} acetonitrile disolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961703/
https://www.ncbi.nlm.nih.gov/pubmed/21202789
http://dx.doi.org/10.1107/S1600536808018060
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