Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II)

Abstract

Title compound 1Ni, [Ni(C46H32N4O2)], a secochlorin nickel complex, was prepared by diol cleavage of a precursor trans-dihydroxydimethylchlorin. Two crystallographically independent molecules in the structure are related by pseudo-A lattice centering, with molecules differing mainly by a rotation of one of the acetyls and an adjacent phenyl groups. The two molecules have virtually identical conformations characterized by noticeable in-plane deformation in the A1g mode and a prominent out-of-plane deformation in the B1u (ruffling) mode. Directional interactions between molecules are scarce, limited to just a few C—H...O contacts, and intermolecular interactions are mostly dispersive in nature.

Keywords

• crystal structure
• porphyrinoids
• meso-phenylsecochlorins
• pyrrole-modified porphyrins