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

Haleyur G.Anil Kumar, Thaluru M.Mohan Kumar, Thayamma R. Divakara, Doreswamy Geetha, Hemmige S. Yathirajan, Sean Parkin

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Pages (from-to)827-830
Number of pages4
JournalActa Crystallographica Section E: Crystallographic Communications
Volume79
DOIs
StatePublished - 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

Fingerprint

Dive into the research topics of 'Crystal structure studies and Hirshfeld surface analysis of 4-(dimethylazaniumyl)-2-hydroxyanilinium dichloride monohydrate at 90 K'. Together they form a unique fingerprint.

Cite this