[meso-5,10,15,20-Tetra-kis(5-bromo-thio-phen-2-yl)porphyrinato-?(4)N,N',N'',N''']nickel(II).

ABSTRACT: The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0?(3)-18.8?(3)°. Each of the six-membered chelate rings is twisted about an Ni-N bond and the dihedral angles between diagonally opposite chelate rings are 13.08?(15) and 13.45?(11)°; each pair of rings is orientated in opposite directions. The bromo-thienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7?(2)-74.65?(19)°. Supra-molecular chains along [001] are formed through C-H?Br inter-actions in the crystal packing. Three of the four bromo-thienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691?(3), 0.738?(3) and 0.929?(9) fractions.

SUBMITTER: Prasath R 

PROVIDER: S-EPMC3343861 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other