Synthesis, single crystal X-ray structure and vibrational spectroscopic characterization study of a new hybrid material crystal: Bis(2,4,6-trihydroxy-1,3,5-triazin-1-ium) bischloride monohydrate

A new hybrid material bis(2,4,6-trihydroxy-1,3,5-triazin-1-ium) bischloride monohydrate (2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O) as a crystal has been synthesized and its structure was identified by single-crystal X-ray diffraction and studied by UV-Vis, FT-IR, FT-Raman and H-1 NMR. The crystal of 2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O belongs to monoclinic with C-2/m space group system with Z = 4, a = 12.3845 (9) angstrom, b = 17.6236 (14) angstrom, c = 7.0260 (5) angstrom and beta = 115.341 (2)degrees. The UV-Vis spectrum shows that the compound is transparent in visible and UV near visible domains. The FT-IR, FT-RAMAN and H-1 NMR spectra of the crystal were discussed on the basis of crystallographic structure and the results were coherent and provides spectroscopic evidence for the crystal formation. In addition, the thermal decomposition of 2C(3)H(4)N(3)O(3)(+)center dot 2Cl(-)center dot H2O has been also studied by TGA/DTG and DSC techniques and reveals that the material has a good thermal stability with the melting point about 310 degrees C. (C) 2019 Published by Elsevier B.V.