Abstract
The crystal structure and a Hirshfeld surface analysis of the substituted anilinium salt 4-(dimethylazaniumyl)-2-hydroxyanilinium 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...OW, and OW - HW...Cl (where W = water), which arrange into chains of R 2 4(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).
Original language | English |
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Pages (from-to) | 827-830 |
Number of pages | 4 |
Journal | Acta Crystallographica Section E: Crystallographic Communications |
Volume | 79 |
DOIs | |
State | Published - Aug 23 2023 |
Bibliographical note
Publisher Copyright:© 2023 International Union of Crystallography. All rights reserved.
Keywords
- aniline derivative
- anilinium salt
- crystal structure
- hydrogen bonding
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics