title: Crystal structure of {6,6'-dibenzoyl-4,4'-di-tert-butyl-2,2'-[(ethane-1,2-di-yl)di-nitrilo-bis-(phenyl-methanylyl-idene)]diphenolato-κ(4) O (1),N,N',O (1')}nickel(II).
abstract: The mononuclear title complex, [Ni(C50H46N2O4)], crystallizes in the triclinic space group P-1, with two mol-ecules 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 tetra-dentate 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 mol-ecule A, and 89.43 (19)/18.0 (2) and 63.87 (19)/68.2 (2)° in mol-ecule B. The two central phenolate rings are twisted by angles of 19.37 (19) and 19.36 (18)° in the two mol-ecules. The packing is stabilized through intra- and inter-molecular C-H⋯O and C-H⋯π inter-actions, forming chains parallel to the b axis. The tert-butyl groups in one of the two mol-ecules are positionally disordered with a refined occupancy ratio of 0.707 (13):0.293 (13).
authors: Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee 247 667, India.
authors: Abhishek K
authors: AK
authors: Gupta
authors: Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
authors: Ray J
authors: RJ
authors: Butcher
authors: Department of Metallurgical and Materials Engineering, Indian Institute of Technology Roorkee, Roorkee 247 667, India.
authors: Anjan
authors: A
authors: Sil
keywords: C—H⋯O hydrogen bonding; N2O2 Schiff base; NiII complex; crystal structure; synthesis