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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/12667
Title: Crystal structure of {6,6'-dibenzoyl-4,4'-di-tert-butyl-2,2'-[(ethane-1,2-diyl)dinitrilobis(phenylmethanylylidene)]diphenolato-κ4 O 1,N,N',O 1'}nickel(II)
Authors: Gupta A.K.
Butcher R.J.
Sil A.
Published in: Acta Crystallographica Section E: Crystallographic Communications
Abstract: The mononuclear title complex, [Ni(C50H46N2O4)], crystallizes in the triclinic space group P-1, with two molecules in the asymmetric unit (Z' = 2). Each NiII 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).
Citation: Acta Crystallographica Section E: Crystallographic Communications (2015), 71(): 1485-1487
URI: https://doi.org/10.1107/S2056989015021052
http://repository.iitr.ac.in/handle/123456789/12667
Issue Date: 2015
Publisher: International Union of Crystallography
Keywords: C - H⋯O hydrogen bonding
crystal structure
N2O2 Schiff base
NiII complex
synthesis
ISSN: 20569890
Author Scopus IDs: 56030282100
7201947292
7003754102
Author Affiliations: Gupta, A.K., Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee, 247 667, India
Butcher, R.J., Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, United States
Sil, A., Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee, 247 667, India
Corresponding Author: Gupta, A.K.; Department of Metallurgical and Materials Engineering, Indian Institute of Technology RoorkeeIndia; email: sunny1689gupta@gmail.com
Appears in Collections:Journal Publications [MT]

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