Self-Assembly, Crystal Structure and Analysis of Intermolecular Interactions of the Supramolecular Compound Based on Hexamolybdochromate(III), Sulfate and Piperazine

摘要

A new supramolecular compound based on Anderson-B hexamolybdochromate, (H_2Pz)_3[Cr(OH)_6Mo_6O_(18)H](SO)_4)_2·12H_2O (1) (Pz = piperazine) was synthesized and characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction (Mo Kα). The compound crystallizes in monoclinic system, P21/c space group with a = 13.5708(6) ?, b = 17.3711(8) ?, c = 22.2387(9) ?, β = 110.631(2)°; V = 4906.3(4) ?~3, Z = 4, D_c = 2.290 g/cm~3, F(000) = 3364.0; μ = 1.905, S = 1.033. The final R = 0.0398 and wR = 0.0971. The H_2pz~(2+) ions and sulfate anions in 1 are arranged through hydrogen bonds into a hexagonal network in [202] plane and hexamolybdochromates anions (CrMo_6) fill in the hexagonal vacancies. The networks stack in such a way that each anion links two sulfate ions from adjacent networks via hydrogen bonds with short (CrMo_6)O···OSO_3 distances of 2.637-2.697 ?. A lot of hydrogen bonds are formed between water molecules, sulfate, H_2pz~(2+) ions and CrMo_6 anions, which are the dominating force constructing the supramolecular structure. Hirshfeld surface analysis of 1 gives us the details of intermolecular interactions in the crystals of 1 in a visual manner and shows that the CrMo_6 anion acts as a stronger hydrogen bond donor than as an acceptor.