Synthesis, spectral, structural characterization and Hirshfeld surface analysis of bis(4-hydroxypyridinium) hexacholorostannate(IV) hybrid

Abstract

Single-crystal XRD studies of Bis(4-hydroxypyridinium) hexacholorostannate(IV) reveals that the crystal belongs to a triclinic system with Pī space group. The X-ray crystallography structure has [C5H6ON]⁺ 0.5[SnCl6]²⁻ asymmetric unit. The band gap value for the hybrid is 3.92 eV estimated using the Kubelka-Munk function. The Bond valence sum (BVS) of tin was calculated as 3.95 based on the Sn-Cl bond distances, which is close to its formal oxidation state of +4. Exploration of the intermolecular interactions and the crystal packing using Hirshfeld surface analysis, derived from single-crystal XRD data, reveals the close contacts associated with strong interactions.

Keywords:

• 4-Hydroxypyridinium
• Hybrid material
• X-ray Structure
• Fingerprint plots
• CSM

Supplementary materials

CCDC 2156621 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Center via www. ccdc.cam.ac.uk/data request/cif.

Acknowledgments

The authors thank DST PURSE Phase-II, Annamalai University for providing the single-crystal XRD facility.