The compound (H3IDC)(Prz)0.5(H2O) (H3IDC = imidazole-4,5-dicarboxylate, Prz = piperazine) has been prepared from a hydrothermal approach and was characterized by IR analysis and X-ray diffraction. Its crystal structure consists of discrete 4,5-imidazole-dicarboxylate, H2O and piperazine molecules. The whole structural motif was assembled by three different non-covalent interactions of O-H…O, N-H…O and π-π stacking, which play an important role in packing the molecules. Interestingly, the connections between imidazole-4,5-dicarboxylate molecule and water molecule result in a helical polymeric chain. Crystal data for compound 1: monoclinic system, space group P21/c, a = 6.4600(13), b = 19.910(4), c = 6.9123(14) A^°, β = 94.26(3)°, V= 886.6(3) A^°^3, Z= 4, C7H10O5N3, Mr = 216.18.
π-π Stacking in the 2,4,6-tris(4-pyridyl)-1,3,5-triazine aromatic nitrogen-containing ligand and its metal-ligand complex Zn(TPT)2(H2O)4(OH)2 1 has been investigated by single-crystal X-ray diffraction analyses. The stacking mode of the ligand changes from the offset conformation to a perfect face-to-face alignment with the coordination to the zinc centers. The structure features are correlated with their solid-state luminescence properties. With excitation at 360 nm, free TPT ligand gives a strong fluorescent emission at 455 nm and the ligand-centered emission of the metal-ligand complex occurs at the same wavelength with lower emission intensity. The distance between the aromatic rings responds to the difference of luminescence characters.
A new polymeric iodoplumbate complex [Zn(DMF)6][Pb2I6] 1 has been prepared and characterized by elemental analysis and single-crystal X-ray analysis. Its structure contains infinite iodoplumbate chains constructed by the [PbI5] subunit. EHT crystal orbital calculation and the experimental results show that this material is an unconventional semiconductor and the electrical character is associated with its structural feature.