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

A new supramolecular compound based on Anderson-B hexamolybdochromate, (H(2)Pz)(3)[Cr(OH)(6)Mo6O18H](SO4)(2)center dot 12H(2)O (1) (Pz = piperazine) was synthesized and characterized by elemental analysis, IR spectroscopy, and singlecrystal X-ray diffraction (Mo K alpha). The compound crystallizes in monoclinic system, P21/c space group with a = 13.5708(6) angstrom, b = 17.3711(8) angstrom, c = 22.2387(9) angstrom, beta = 110.631(2)degrees; V = 4906.3(4) angstrom(3), Z = 4, D-c = 2.290 g/cm(3), F(000) = 3364.0; mu = 1.905, S = 1.033. The final R = 0.0398 and wR = 0.0971. The H(2)pz(2+) ions and sulfate anions in 1 are arranged through hydrogen bonds into a hexagonal network in [202] plane and hexamolybdochromates anions (CrMo6) 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 (CrMo6)O center dot center dot center dot OSO3 distances of 2.637-2.697 angstrom. A lot of hydrogen bonds are formed between water molecules, sulfate, H(2)pz(2+) ions and CrMo6 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 CrMo6 anion acts as a stronger hydrogen bond donor than as an acceptor.