Crystal structure of bis-[(phenyl-methanamine-?N)(phthalocyaninato-?(4) N)zinc] phenyl-methan-amine tris-olvate.

ABSTRACT: The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex mol-ecules and three benzyl-amine solvent mol-ecules. Each complex mol-ecule features a penta-coordinated Zn(2+) ion within a square-pyramidal geometry, whereby the N5 donor set is defined by four atoms of the phthalocyaninate dianion (PC) and an N-bound benzyl-amine mol-ecule; it is the relative orientations of the latter that differentiate between the independent complex mol-ecules. The uncoordinated benzyl-amine mol-ecules display different conformations in the structure, with syn-Car-Car-Cm-N (ar = aromatic, m = methyl-ene) torsion angles spanning the range -28.7?(10) to 35.1?(14)°. In the crystal, N-H?N and N-H?? inter-actions lead to supra-molecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzyl-amine mol-ecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via ?-? inter-actions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593?(2)?Å] so that a three-dimensional architecture is formed.

SUBMITTER: Shamsudin N 

PROVIDER: S-EPMC4555378 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature