Cetylpyridinium bromide monohydrate: localization of H atoms
The title compound, C<sub>21</sub>H<sub>38</sub>N<sup>+</sup>·Br<sup>-</sup>·H<sub>2</sub>O, is the bromide salt of a quarternary pyridinium cation bearing a hexa-decyl chain on the nitro-gen atom. One mol-ecule of solvent water is present in the asymmetric unit. Classical hydrogen bonds of the O-H⋯Br type are observed next to C-H⋯Br and C-H⋯O contacts that connect the entities of the title compound to sheets parallel to the <i>ab</i> plane.
Authors
- Kina Muller
- Eric C. Hosten (ORCID: https://orcid.org/0000-0003-4173-2550)
- Richard Betz (ORCID: https://orcid.org/0000-0002-5730-2152)
Institutions
- Nelson Mandela University (ZA)
Publication Details
- Journal
- IUCrData
- Published
- 2025-11-11
- DOI
- https://doi.org/10.1107/s2414314625009915
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00