Crystal structure of (6,9-diacetyl-5,10,15,20-tetra-phenyl-secochlorinato)nickel(II).

Title compound 1Ni , [Ni(C 46 H 32 N 4 O 2 )], a secochlorin nickel complex, was prepared by diol cleavage of a precursor trans -di-hydroxy-dimethyl-chlorin. Two crystallographically independent mol-ecules in the structure are related by pseudo-A lattice centering, with mol-ecules differing mainly by a rotation of one of the acetyls and an adjacent phenyl groups. The two mol-ecules have virtually identical conformations characterized by noticeable in-plane deformation in the A 1g mode and a prominent out-of-plane deformation in the B 1u (ruffling) mode. Directional inter-actions between mol-ecules are scarce, limited to just a few C-H⋯O contacts, and inter-molecular inter-actions are mostly dispersive in nature.