Synthesis, Structure and Geometrical Calculation of a Novel Co-crystal of {4-Bromo-2-(benzimidazol-2-yl)phenolato2- (1-butylbenzimidazol-2-yl)phenolatozinc(Ⅱ) and Bisμ-2- (1- butylbenzimidazol-2-yl)phenolato- 1κN3: 2κO; 1κO:2κN3-bis{2-(1-butylbenzimidazol-2-yl)phenolato-κ2N3,Ozinc(Ⅱ)}

摘要

The title compound has been synthesized and characterized crystallographically. It is a co-crystal consisting of two different neutral zinc(II) complexes with Hbpbm (Hbpbm = 4- bromo-2-(benzimidazol-2-yl)phenol) and Hnpbm (Hnpbm = 2-(1-butylbenzimidazol-2-yl)phenol). One is a monomeric mixed-ligand complex of [Zn(bpbm)(npbm)] 1 and the other a dimer of [Zn2(npbm)4] 2 with their ratio of 2:1. Thus the overall formula for the title compound is 21·2. Adjacent 1 and 2 are connected to each other by intermolecular hydrogen bonding interactions in the lattice. The crystal data: monoclinic, space group P21/c, a = 15.0141(12), b = 20.9941(17), c = 18.4686(15) , β = 97.445(2)o, V = 5772.4(8) 3, Mr = 2429.68, Z = 2, Dc = 1.398 g/cm3, μ = 1.579 mm-1, F(000) = 2504, R = 0.0637 and wR = 0.1771 for 6464 observed reflections (I > 2σ(I)). The geometrical structure for 1 has also been theoretically optimized and compared with the experi- mental one.