A comprehensive exploration of the structural, vibrational, optical, and thermal properties of 2, 4, 6-triamino-1, 3, 5-triazinium perchlorate monohydrate layered hybrid ionic material

•New crystal hybrid material was synthesized and comprehensively characterized.•3D-network is layered like formed by bi-organic/bi-inorganic supramolecular layers.•HS analysis proves that O∙∙∙H and N∙∙∙H are the most contributors in the contacts.•The material is transparent in near-UV and visible regions, with cut-off of 252nm.•TGA/DTG indicates multi-stage decomposition process and thermal stability of 315 °C. New single-crystal hybrid material: 2,4,6-triamino-1,3,5-triazinium perchlorate monohydrate was synthesized and comprehensively characterized. Its structure was affined by single-crystal XRD, revealing P1− triclinic system, cell parameters a = 5.6698(4), b = 7.5566(6), c = 11.9230(9)Å, β = 94.527(3) and filling rate Z = 2. The supramolecular 3D-network was investigated, attributing a layered structure like along z-direction, formed by bi-organic by bi-inorganic supramolecular layers. The Hirshfeld surface analysis was employed to examine the intermolecular interactions, identifying O∙∙∙H/H∙∙∙O and N∙∙∙H/H∙∙∙N contacts as the most prominent, each contributing 66.1 % to the overall interaction profile. The material exhibits transparency in the near-UV and visible regions. The FT-IR spectroscopy was used to analyze vibrational modes, while the TGA/DTG analysis indicates a multi-stage decomposition process, with thermal stability up to 315 °C. [Display omitted]