Yang Feng Ju, Fang Xin, Yu Hai Yang, Wang Jun Dong
Department of Chemistry, University of Fuzhou, Fuzhou 350108, People's Republic of China.
Acta Crystallogr C. 2008 Nov;64(Pt 11):m375-7. doi: 10.1107/S0108270108032472. Epub 2008 Oct 18.
The title compound, [Zn(C(32)H(16)N(8))(C(5)H(6)N(2))].2C(4)H(8)O, consists of one (phthalocyaninato)zinc (ZnPc) unit, a coordinated 4-aminopyridine (4-ap) molecule and two tetrahydrofuran (THF) solvent molecules. The central Zn atom is (4+1)-coordinated by four isoindole N atoms of the Pc core and by the pyridine N atom of 4-aminopyridine. The Zn atom is displaced by 0.4464 (8) A from the isoindole N(4) plane towards the pyridine N atom. The crystal structure is stabilized by intermolecular amine-phthalocyaninate N-H...N hydrogen bonds and pi-pi interactions between the aggregated Pc rings, which form molecular layers, and by weak van der Waals interactions between the layers. As well as hindering the aggregation of ZnPc molecules by occupying an axial position, the amino group will add new interactions which will favor applications of ZnPc, for example, as a sensitizer of photodynamic therapy.
标题化合物[Zn(C₃₂H₁₆N₈)(C₅H₆N₂)].2C₄H₈O由一个(酞菁基)锌(ZnPc)单元、一个配位的4-氨基吡啶(4-ap)分子和两个四氢呋喃(THF)溶剂分子组成。中心Zn原子由Pc核的四个异吲哚N原子和4-氨基吡啶的吡啶N原子进行(4 + 1)配位。Zn原子从异吲哚N(4)平面朝着吡啶N原子位移了0.4464(8) Å。晶体结构通过分子间胺-酞菁酸盐N-H...N氢键以及聚集的Pc环之间的π-π相互作用(形成分子层)和层间弱范德华相互作用得以稳定。氨基通过占据轴向位置不仅阻碍了ZnPc分子的聚集,还会增加新的相互作用,这将有利于ZnPc的应用,例如作为光动力疗法的敏化剂。