Synthesis, crystal structure, hirshfeld surface analysis, spectroscopic, optical and thermal behavior of new organic-inorganic hybrid material (C7H11N2)2[CrCl2(H2O)4]Cl3·2H2O

Abstract

(C7H11N2)2[CrCl2(H2O)4]Cl3·2H2O has been obtained by slow evaporation method at room temperature. The single crystal X–ray diffraction proves that it crystallizes in the P2/c monoclinic space group with a = 8.384(2)Å, b = 7.495(6)Å, c = 21.868(5)Å, β = 98.49(2)°, V = 1359(12)Å3. The structure is built up by (C7H11N2)+ organic cation, an octahedral Cr(III) inorganic cluster [CrCl2(H2O)4], two other free chlorine anions and a water molecule. The structure exhibits an alternate organic-inorganic layered stacking along c-axis. The isolated octahedra are building a zero-dimensional anionic network. The crystal structure is stabilized by NH⋯Cl, OH⋯Cl, OH⋯O and offset cycle stacking interactions. The powder X-ray diffraction confirms the phase purity. Hirshfeld surface projections elucidate the contribution of the H⋯Cl, H⋯H, H⋯O intermolecular interactions. The UV–visible, the photoluminescence (PL), the observed/calculated infrared, the electronic transition and the crystal shape morphology as well as the thermal behaviour of the studied compound have been discussed.