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

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

In the title hydrated salt, C19H24N3+·Br−·H2O, 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...

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Main Authors: Qi Quo, Liangru Yang, Pu Mao, Yongmei Xiao, Jinwei Yuan
Format: Article
Language:English
Published: International Union of Crystallography 2015-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
NHC precursor
tetrahydropyrimidinium
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015003989
id doaj-7775e99d5d9d489aa4a8ce7570aa4ccd
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spelling doaj-7775e99d5d9d489aa4a8ce7570aa4ccd2020-11-25T00:06:17ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-04-01714o224o22410.1107/S2056989015003989rz5148Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrateQi Quo0Liangru Yang1Pu Mao2Yongmei Xiao3Jinwei Yuan4College of Chemistry and Chemical engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Chemical engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Chemical engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Chemical engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of ChinaCollege of Chemistry and Chemical engineering, Henan University of Technology, Zhengzhou 450001, People's Republic of ChinaIn the title hydrated salt, C19H24N3+·Br−·H2O, 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015003989crystal structureNHC precursortetrahydropyrimidiniumhydrogen bonding
collection DOAJ
language English
format Article
sources DOAJ
author Qi Quo
Liangru Yang
Pu Mao
Yongmei Xiao
Jinwei Yuan
spellingShingle Qi Quo
Liangru Yang
Pu Mao
Yongmei Xiao
Jinwei Yuan
Crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
NHC precursor
tetrahydropyrimidinium
hydrogen bonding
author_facet Qi Quo
Liangru Yang
Pu Mao
Yongmei Xiao
Jinwei Yuan
author_sort Qi Quo
title 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_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_sort crystal structure of 3-mesityl-1-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium bromide monohydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2015-04-01
description In the title hydrated salt, C19H24N3+·Br−·H2O, 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.
topic crystal structure
NHC precursor
tetrahydropyrimidinium
hydrogen bonding
url http://scripts.iucr.org/cgi-bin/paper?S2056989015003989
work_keys_str_mv AT qiquo crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT liangruyang crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT pumao crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT yongmeixiao crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
AT jinweiyuan crystalstructureof3mesityl1pyridin2ylmethyl3456tetrahydropyrimidin1iumbromidemonohydrate
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