Crystal structure studies and Hirshfeld surface analysis of 4-(di-methyl-aza-nium-yl)-2-hy-droxy-anilinium dichloride monohydrate at 90 K.

ABSTRACT: 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, C₈H₁₄N₂O⁺·2Cl^-·H₂O, 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_W, and O_W-H_W⋯Cl (where W = water), which arrange into chains of R ² ₄(12) motifs that combine to form corrugated layers parallel to (10). Atom

SUBMITTER: Anil Kumar HG 

PROVIDER: S-EPMC10483561 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature