Title of article :
Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]
Author/Authors :
Garci, Fatma University of Tunis El Manar, Faculty of Sciences of Tunis - Laboratory of Materials - Crystal Chemistry and Applied Thermodynamics, Tunisia , Ferjani, Hela Chemistry Department, College of Science - IMSIU (Imam Mohammad Ibn Saud Islamic University), Kingdom of Saudi Arabia , Chebbi, Hammouda University of Tunis El Manar - Faculty of Sciences of Tunis - Laboratory of Materials - Crystal Chemistry and Applied Thermodynamics, Tunisia , Jomaa, Mariem Ben University of Tunis El Manar - Faculty of Sciences of Tunis - Laboratory of Materials - Crystal Chemistry and Applied Thermodynamics, Tunisia , Faouzi Zid, Mohamed University of Tunis El Manar, Faculty of Sciences of Tunis - Laboratory of Materials - Crystal Chemistry and Applied Thermodynamics, Tunisia
Abstract :
The title molecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(dimethylamino)pyridinium cations (A and B) and two half hexachloridodimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The dimethylamino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(dimethylamino)pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H⋯Cl hydrogen bonds and adjacent layers are linked by C—H⋯Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above intermolecular interactions, but also serve to further differentiate the weaker intermolecular interactions formed by the organic cations and inorganic anions, such as π–π and Cl⋯Cl interactions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy.
Keywords :
crystal structure , 4-dimethylaminopyridium , Hirshfeld surface , fingerprint plots , hybrid compound
Journal title :
Acta Crystallographica Section E: Crystallographic Communications