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Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4) O (1),N,N′,O (1′)}nickel(II)
The mononuclear title complex, [Ni(C(50)H(46)N(2)O(4))], crystallizes in the triclinic space group P-1, with two molecules in the asymmetric unit (Z′ = 2). Each Ni(II) atom has a slightly distorted square-planar geometry [ω = 3.91 (5)° and 2.04 (7)°] defined by the two phenolate O and two imine N a...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719819/ https://www.ncbi.nlm.nih.gov/pubmed/26870410 http://dx.doi.org/10.1107/S2056989015021052 |
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author | Gupta, Abhishek K. Butcher, Ray J. Sil, Anjan |
author_facet | Gupta, Abhishek K. Butcher, Ray J. Sil, Anjan |
author_sort | Gupta, Abhishek K. |
collection | PubMed |
description | The mononuclear title complex, [Ni(C(50)H(46)N(2)O(4))], crystallizes in the triclinic space group P-1, with two molecules in the asymmetric unit (Z′ = 2). Each Ni(II) atom has a slightly distorted square-planar geometry [ω = 3.91 (5)° and 2.04 (7)°] defined by the two phenolate O and two imine N atoms of the tetradentate Schiff base ligand. The dihedral angles between the central phenolate ring and peripheral phenyl rings are 60.5 (2)/70.0 (2) and 86.4 (2)/56.1 (2)° in molecule A, and 89.43 (19)/18.0 (2) and 63.87 (19)/68.2 (2)° in molecule B. The two central phenolate rings are twisted by angles of 19.37 (19) and 19.36 (18)° in the two molecules. The packing is stabilized through intra- and intermolecular C—H⋯O and C—H⋯π interactions, forming chains parallel to the b axis. The tert-butyl groups in one of the two molecules are positionally disordered with a refined occupancy ratio of 0.707 (13):0.293 (13). |
format | Online Article Text |
id | pubmed-4719819 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198192016-02-11 Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4) O (1),N,N′,O (1′)}nickel(II) Gupta, Abhishek K. Butcher, Ray J. Sil, Anjan Acta Crystallogr E Crystallogr Commun Research Communications The mononuclear title complex, [Ni(C(50)H(46)N(2)O(4))], crystallizes in the triclinic space group P-1, with two molecules in the asymmetric unit (Z′ = 2). Each Ni(II) atom has a slightly distorted square-planar geometry [ω = 3.91 (5)° and 2.04 (7)°] defined by the two phenolate O and two imine N atoms of the tetradentate Schiff base ligand. The dihedral angles between the central phenolate ring and peripheral phenyl rings are 60.5 (2)/70.0 (2) and 86.4 (2)/56.1 (2)° in molecule A, and 89.43 (19)/18.0 (2) and 63.87 (19)/68.2 (2)° in molecule B. The two central phenolate rings are twisted by angles of 19.37 (19) and 19.36 (18)° in the two molecules. The packing is stabilized through intra- and intermolecular C—H⋯O and C—H⋯π interactions, forming chains parallel to the b axis. The tert-butyl groups in one of the two molecules are positionally disordered with a refined occupancy ratio of 0.707 (13):0.293 (13). International Union of Crystallography 2015-11-11 /pmc/articles/PMC4719819/ /pubmed/26870410 http://dx.doi.org/10.1107/S2056989015021052 Text en © Gupta et al. 2015 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 | Research Communications Gupta, Abhishek K. Butcher, Ray J. Sil, Anjan Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4) O (1),N,N′,O (1′)}nickel(II) |
title | Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
O
(1),N,N′,O
(1′)}nickel(II) |
title_full | Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
O
(1),N,N′,O
(1′)}nickel(II) |
title_fullStr | Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
O
(1),N,N′,O
(1′)}nickel(II) |
title_full_unstemmed | Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
O
(1),N,N′,O
(1′)}nickel(II) |
title_short | Crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
O
(1),N,N′,O
(1′)}nickel(II) |
title_sort | crystal structure of {6,6′-dibenzoyl-4,4′-di-tert-butyl-2,2′-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ(4)
o
(1),n,n′,o
(1′)}nickel(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719819/ https://www.ncbi.nlm.nih.gov/pubmed/26870410 http://dx.doi.org/10.1107/S2056989015021052 |
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