Crystal structure of bis[(phenylmethanamine-κN)(phthalocyaninato-κ4N)zinc] phenylmethanamine trisolvate

Acta Crystallographica Section E: Crystallographic Communications

Edward R. T. Tiekink¹  David J. Young²  Ai Ling Tan²  Norzianah Shamsudin²  Franz L. Wimmer² 

[1] Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia;Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link BE 1410, Negara Brunei Darussalam;

关键词: crystal structure;    zinc phthalocyaninato complex;    co-crystal;    hydrogen bonding;    conformation;   

DOI  :  10.1107/S2056989015014280

来源: DOAJ

【 摘 要 】

The asymmetric unit of the title compound, 2[Zn(C32H16N8)(C7H9N)]·3C7H9N, comprises two independent complex molecules and three benzylamine solvent molecules. Each complex molecule features a pentacoordinated Zn2+ 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 benzylamine molecule; it is the relative orientations of the latter that differentiate between the independent complex molecules. The uncoordinated benzylamine molecules display different conformations in the structure, with syn-Car—Car—Cm—N (ar = aromatic, m = methylene) torsion angles spanning the range −28.7 (10) to 35.1 (14)°. In the crystal, N—H...N and N—H...π interactions lead to supramolecular layers in the ab plane. The layers have a zigzag topology, have the coordinating and non-coordinating benzylamine molecules directed to the inside, and present the essentially flat PC resides to the outside. This arrangement enables adjacent layers to associate via π–π interactions [inter-centroid distance between pyrrolyl and fused-benzene rings = 3.593 (2) Å] so that a three-dimensional architecture is formed.

【 授权许可】

Unknown