Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate

In the title hydrated salt, C(19)H(24)N(3) (+)·Br(−)·H(2)O, the values of the N—C bond lengths within the tetra­hydro­pyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and...

Descripción completa

Detalles Bibliográficos
Autores principales: Quo, Qi, Yang, Liangru, Mao, Pu, Xiao, Yongmei, Yuan, Jinwei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438856/
https://www.ncbi.nlm.nih.gov/pubmed/26029425
http://dx.doi.org/10.1107/S2056989015003989
_version_ 1782372404758052864
author Quo, Qi
Yang, Liangru
Mao, Pu
Xiao, Yongmei
Yuan, Jinwei
author_facet Quo, Qi
Yang, Liangru
Mao, Pu
Xiao, Yongmei
Yuan, Jinwei
author_sort Quo, Qi
collection PubMed
description In the title hydrated salt, C(19)H(24)N(3) (+)·Br(−)·H(2)O, the values of the N—C bond lengths within the tetra­hydro­pyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water mol­ecules are linked by O—H⋯Br, O—H⋯N, C—H⋯Br and C—H⋯O hydrogen bonds into chains running parallel to the b axis.
format Online
Article
Text
id pubmed-4438856
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-44388562015-05-30 Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate Quo, Qi Yang, Liangru Mao, Pu Xiao, Yongmei Yuan, Jinwei Acta Crystallogr E Crystallogr Commun Data Reports In the title hydrated salt, C(19)H(24)N(3) (+)·Br(−)·H(2)O, the values of the N—C bond lengths within the tetra­hydro­pyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)°. In the crystal, ions and water mol­ecules are linked by O—H⋯Br, O—H⋯N, C—H⋯Br and C—H⋯O hydrogen bonds into chains running parallel to the b axis. International Union of Crystallography 2015-03-04 /pmc/articles/PMC4438856/ /pubmed/26029425 http://dx.doi.org/10.1107/S2056989015003989 Text en © Quo et al. 2015 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 Data Reports
Quo, Qi
Yang, Liangru
Mao, Pu
Xiao, Yongmei
Yuan, Jinwei
Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title_full Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title_fullStr Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title_full_unstemmed Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title_short Crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
title_sort crystal structure of 3-mesityl-1-[(pyridin-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrim­idin-1-ium bromide monohydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438856/
https://www.ncbi.nlm.nih.gov/pubmed/26029425
http://dx.doi.org/10.1107/S2056989015003989
work_keys_str_mv AT quoqi crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT yangliangru crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT maopu crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT xiaoyongmei crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT yuanjinwei crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate

Ejemplares similares