Cargando…
Crystal structure of 4-carbamoylpyridinium chloride
The hydrochloride salt of isonicotinamide, C(6)H(7)N(2)O(+)·Cl(−), has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric un...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910348/ https://www.ncbi.nlm.nih.gov/pubmed/27375858 http://dx.doi.org/10.1107/S2056989016003340 |
_version_ | 1782438003595018240 |
---|---|
author | Fellows, Simon M. Prior, Timothy J. |
author_facet | Fellows, Simon M. Prior, Timothy J. |
author_sort | Fellows, Simon M. |
collection | PubMed |
description | The hydrochloride salt of isonicotinamide, C(6)H(7)N(2)O(+)·Cl(−), has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide molecule and a chloride anion. An array of hydrogen-bonding interactions, including a peculiar bifurcated pyridinium–chloride interaction, results in linear chains running almost perpendicularly in the [150] and [1-50] directions within the structure. A description of the hydrogen-bonding network and comparison with similar compounds are presented. |
format | Online Article Text |
id | pubmed-4910348 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49103482016-07-01 Crystal structure of 4-carbamoylpyridinium chloride Fellows, Simon M. Prior, Timothy J. Acta Crystallogr E Crystallogr Commun Research Communications The hydrochloride salt of isonicotinamide, C(6)H(7)N(2)O(+)·Cl(−), has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space group C2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide molecule and a chloride anion. An array of hydrogen-bonding interactions, including a peculiar bifurcated pyridinium–chloride interaction, results in linear chains running almost perpendicularly in the [150] and [1-50] directions within the structure. A description of the hydrogen-bonding network and comparison with similar compounds are presented. International Union of Crystallography 2016-03-04 /pmc/articles/PMC4910348/ /pubmed/27375858 http://dx.doi.org/10.1107/S2056989016003340 Text en © Fellows and Prior 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Fellows, Simon M. Prior, Timothy J. Crystal structure of 4-carbamoylpyridinium chloride |
title | Crystal structure of 4-carbamoylpyridinium chloride |
title_full | Crystal structure of 4-carbamoylpyridinium chloride |
title_fullStr | Crystal structure of 4-carbamoylpyridinium chloride |
title_full_unstemmed | Crystal structure of 4-carbamoylpyridinium chloride |
title_short | Crystal structure of 4-carbamoylpyridinium chloride |
title_sort | crystal structure of 4-carbamoylpyridinium chloride |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910348/ https://www.ncbi.nlm.nih.gov/pubmed/27375858 http://dx.doi.org/10.1107/S2056989016003340 |
work_keys_str_mv | AT fellowssimonm crystalstructureof4carbamoylpyridiniumchloride AT priortimothyj crystalstructureof4carbamoylpyridiniumchloride |