A study of the crystal structures, supra-molecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine.

ABSTRACT: Two new crystalline salts, namely, hypoxanthinium bromide monohydrate, C₅H₅N₄O⁺·Br^-·H₂O (I) and xanthinium bromide monohydrate, C₅H₅N₄O₂ ⁺·Br^-·H₂O (II), were synthesized and characterized by single-crystal X-ray diffraction technique and Hirshfeld surface analysis. The hypoxanthinium and xanthinium cations in salts I and II are both in the oxo-N(9)-H tautomeric form. The crystal packing of the two salts is governed predominantly by N-H⋯O, N-H⋯Br, C-H⋯Br and O-H⋯Br inter-actions described by R ² ₃(9) and R ² ₂(8) synthons. The crystal packing is also consolidated by

SUBMITTER: Sathya U 

PROVIDER: S-EPMC9431788 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature