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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2961703 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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