Anil Kumar Haleyur G, Mohan Kumar Thaluru M, Divakara Thayamma R, Geetha Doreswamy, Yathirajan Hemmige S, Parkin Sean
Department of Science and Humanities, PES University, BSK III Stage, Bengaluru-560 085, India.
Department of Chemistry, Amrita School of Engineering, Amrita Vishwa Vidyapeetham, Bengaluru-560 035, India.
Acta Crystallogr E Crystallogr Commun. 2023 Aug 23;79(Pt 9):827-830. doi: 10.1107/S2056989023007223. eCollection 2023 Sep 1.
The crystal structure and a Hirshfeld surface analysis of the substituted anilinium salt 4-(di-methyl-aza-nium-yl)-2-hy-droxy-anilinium dichloride monohydrate, CHNO·2Cl·HO, at low temperature (90 K) are presented. The organic cation is essentially planar: the r.m.s. deviation of its non-hydrogen atoms (aside from the two methyl groups) is 0.0045 Å. The methyl carbons are 1.3125 (12) Å and 1.1278 (12) Å either side of the mean plane. The crystal packing involves extensive hydrogen bonding of types O-H⋯Cl, N-H⋯Cl, N-H⋯O, and O-H⋯Cl (where W = water), which arrange into chains of (12) motifs that combine to form corrugated layers parallel to (10). Atom-atom contacts for the cation primarily involve hydrogen, leading to the most abundant coverage percentages being 51.3% (H⋯H), 23.0% (H⋯Cl), 12.9% (H⋯O), and 9.7% (C⋯H).
