A New Organic–Inorganic Hybrid Compound (C7H7N2)2[Cu2Cl6]: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Vibrational and Thermal Properties

Abstract

The present paper reports the chemical synthesis, structure study, Hirshfeld surface analyses, vibrational properties, and thermal analysis of new hybrid compound called: bis-benzymidazolium hexachlorodicuprate(II). It is crystallized in the monoclinic system P21/n at room temperature with the following parameters: a = 16.7794 (18) A, b = 6.4216 (6) A, c = 18.535 (2) A, β = 92.931 (8)°, and Z = 8. The structure of this compound might be described as layered with two parallel anionic and cationic layers. In this structure, the Cu2+ ion, surrounded by five chlorides, adopts the square pyramidal coordination geometry. The [CuCl5]2− square pyramids sharing two common Cl atoms are held together forming chains of dimers of the form [Cu2Cl6]2−. Network hydrogen-bonding and π–π interaction assures the cohesion between these layers and stabilizes the crystal. Hirshfeld surface analyses and fingerprint plots are used for decoding intermolecular interactions in the crystal network and contribution of component units for the construction of the 3D architecture. The vibration properties of this structure were studied by Raman scattering and infrared spectroscopies. Thermogravimetric analysis and differential scanning calorimetry measurements have been carried out on (C7H7N2)2[Cu2Cl6] crystal in the temperature range between 275 and 500 K.