Synthesis,Crystal Structure,Hirshfeld Surface Analysis,and Physicochemical Study of an Anhydrous Organic Acidic Cyclohexaphosphate

The new organic–inorganic hybrid 5-Cl-2-(CH₃)C₆H₃NH₃]₄H₂P₆O₁₈ has been synthesized by the slow evaporation method. X-ray diffraction on a single crystal shows that this acidic cyclohexaphosphate crystallized in the monoclinic space group C _2/c with a?=?33.89(11) Å, b?=?9.16(16) Å, c?=?13.68(3) Å, β?=?91.35(2)°, V?=?4244.9(19) ų and Z?=?4. ³¹P MAS-NMR and ¹³C CP/MAS-NMR results are in accordance with X-ray findings. Fluorescent study shows the blue photoluminescence. Furthermore, FT-IR analysis was studied and the complete vibrational assignments were done. Intermolecular interactions were analyzed using Hirshfeld surface analysis and the associated 2D fingerprint plots.