Crystal structure studies and Hirshfeld surface analysis of 4-(di­methyl­aza­nium­yl)-2-hy­dr­oxy­anilinium dichloride monohydrate at 90 K

Anil Kumar, H. G. and Mohan Kumar, T. M. and Divakara, T. R. and Geetha, D. and Yathirajan, H. S. and Parkin, Sean (2023) Crystal structure studies and Hirshfeld surface analysis of 4-(di­methyl­aza­nium­yl)-2-hy­dr­oxy­anilinium dichloride monohydrate at 90 K. Acta Crystallographica Section E, 79 (9). pp. 827-830. ISSN 2056-9890

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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 R24(12) motifs that combine to form corrugated layers parallel to (10[\overline{1}]). 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).

Item Type:	Article
Uncontrolled Keywords:	crystal structure, aniline derivative, anilinium salt, hydrogen bonding
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	C Swapna Library Assistant
Date Deposited:	05 Sep 2023 06:31
Last Modified:	05 Sep 2023 06:31
URI:	http://eprints.uni-mysore.ac.in/id/eprint/17728

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