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

The new organic–inorganic hybrid [5-Cl-2-(CH 3 )C 6 H 3 NH 3 ] 4 H 2 P 6 O 18 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) Å 3 and Z = 4. 31 P MAS-NMR and 13 C 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.