Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate

In the crystal of the title hydrated salt, C6H7N4+·C4H5O6−·0.5H2O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H...O, O—H...O and O—H...N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rotation axis, form...

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Main Authors:	Xiao-Li Gao, Li-Fang Bian, Shao-Wei Guo
Format:	Article
Language:	English
Published:	International Union of Crystallography 2014-11-01
Series:	Acta Crystallographica Section E
Subjects:	crystal structure biimidazole imidazolium tartrate hydrogen bonding
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S160053681402371X

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spelling	doaj-c5c088975a6d4065ab9fb26bc1f2e2832020-11-25T02:01:06ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-017011o1221o122210.1107/S160053681402371Xsu5001Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrateXiao-Li Gao0Li-Fang Bian1Shao-Wei Guo2Department of Chemistry, Taiyuan Normal College, Taiyuan, Shanxi 030031, People's Republic of ChinaDepartment of Chemistry, Taiyuan Normal College, Taiyuan, Shanxi 030031, People's Republic of ChinaDepartment of Chemistry, Taiyuan Normal College, Taiyuan, Shanxi 030031, People's Republic of ChinaIn the crystal of the title hydrated salt, C6H7N4+·C4H5O6−·0.5H2O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H...O, O—H...O and O—H...N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C—H...O hydrogen bonds, forming a three-dimensional structure. There are also C=O...π interactions present [O...π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°.http://scripts.iucr.org/cgi-bin/paper?S160053681402371Xcrystal structurebiimidazoleimidazoliumtartratehydrogen bonding
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Xiao-Li Gao Li-Fang Bian Shao-Wei Guo
spellingShingle	Xiao-Li Gao Li-Fang Bian Shao-Wei Guo Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate Acta Crystallographica Section E crystal structure biimidazole imidazolium tartrate hydrogen bonding
author_facet	Xiao-Li Gao Li-Fang Bian Shao-Wei Guo
author_sort	Xiao-Li Gao
title	Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
title_short	Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
title_full	Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
title_fullStr	Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
title_full_unstemmed	Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
title_sort	crystal structure of 1h,1′h-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate
publisher	International Union of Crystallography
series	Acta Crystallographica Section E
issn	1600-5368
publishDate	2014-11-01
description	In the crystal of the title hydrated salt, C6H7N4+·C4H5O6−·0.5H2O, the biimidazole monocation, 1H,1′H-[2,2′-biimidazol]-3-ium, is hydrogen bonded, via N—H...O, O—H...O and O—H...N hydrogen bonds, to the hydrogen tartrate anion and the water molecule, which is located on a twofold rotation axis, forming sheets parallel to (001). The sheets are linked via C—H...O hydrogen bonds, forming a three-dimensional structure. There are also C=O...π interactions present [O...π distances are 3.00 (9) and 3.21 (7) Å], involving the carbonyl O atoms and the imidazolium ring, which may help to consolidate the structure. In the cation, the dihedral angle between the rings is 11.6 (2)°.
topic	crystal structure biimidazole imidazolium tartrate hydrogen bonding
url	http://scripts.iucr.org/cgi-bin/paper?S160053681402371X
work_keys_str_mv	AT xiaoligao crystalstructureof1h1h22biimidazol3iumhydrogentartratehemihydrate AT lifangbian crystalstructureof1h1h22biimidazol3iumhydrogentartratehemihydrate AT shaoweiguo crystalstructureof1h1h22biimidazol3iumhydrogentartratehemihydrate
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Crystal structure of 1H,1′H-[2,2′-biimidazol]-3-ium hydrogen tartrate hemihydrate

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