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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...

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Autores principales: Gupta, Abhishek K., Butcher, Ray J., Sil, Anjan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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).
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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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