2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal

2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal

In the title co-crystal, C5H9N2+·C6H5O3S−·C5H8N2, the two 1,2-dimethylimidazole rings exist as partially protonated moieties in the asymmetric unit as a two-part disordered unit wherein the acidic hydrogen atom is bound to each ring. The two imidazolium cations share a strong hydrogen bond via the a...

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Bibliographic Details
Main Authors: Noah Cyr, Matthias Zeller, Patrick C. Hillesheim, Arsalan Mirjafari
Format: Article
Language:English
Published: International Union of Crystallography 2020-05-01
Series:IUCrData
Subjects:
crystal structure
tosylate
imidazolium
ionic crystal
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2414314620006896
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spelling doaj-bb37eda9cf41472fb547ac8cdb94f1a42020-11-25T03:41:43ZengInternational Union of CrystallographyIUCrData2414-31462020-05-0155x20068910.1107/S2414314620006896bv40312,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystalNoah Cyr0Matthias Zeller1Patrick C. Hillesheim2Arsalan Mirjafari3Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USAPurdue University, Department of Chemistry, 560 Oval Drive, West Lafayette, Indiana USA, 47907, USAAve Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria FL, 34142, USADepartment of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, FL, 33965, USAIn the title co-crystal, C5H9N2+·C6H5O3S−·C5H8N2, the two 1,2-dimethylimidazole rings exist as partially protonated moieties in the asymmetric unit as a two-part disordered unit wherein the acidic hydrogen atom is bound to each ring. The two imidazolium cations share a strong hydrogen bond via the acidic hydrogen atom, which is disordered between two positions, being bonded to the first versus second imidazole ring in a 0.33 (2) to 0.67 (2) ratio. A benzene sulfonate anion is present for charge balance and interacts with the aromatic H atoms on both imidazole rings as well as with the methyl groups on the rings.http://scripts.iucr.org/cgi-bin/paper?S2414314620006896crystal structuretosylateimidazoliumionic crystal
collection DOAJ
language English
format Article
sources DOAJ
author Noah Cyr
Matthias Zeller
Patrick C. Hillesheim
Arsalan Mirjafari
spellingShingle Noah Cyr
Matthias Zeller
Patrick C. Hillesheim
Arsalan Mirjafari
2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
IUCrData
crystal structure
tosylate
imidazolium
ionic crystal
author_facet Noah Cyr
Matthias Zeller
Patrick C. Hillesheim
Arsalan Mirjafari
author_sort Noah Cyr
title 2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
title_short 2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
title_full 2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
title_fullStr 2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
title_full_unstemmed 2,3-Dimethyl-1H-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1H-imidazole co-crystal
title_sort 2,3-dimethyl-1h-imidazol-3-ium benzenesulfonate–1,2-dimethyl-1h-imidazole co-crystal
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2020-05-01
description In the title co-crystal, C5H9N2+·C6H5O3S−·C5H8N2, the two 1,2-dimethylimidazole rings exist as partially protonated moieties in the asymmetric unit as a two-part disordered unit wherein the acidic hydrogen atom is bound to each ring. The two imidazolium cations share a strong hydrogen bond via the acidic hydrogen atom, which is disordered between two positions, being bonded to the first versus second imidazole ring in a 0.33 (2) to 0.67 (2) ratio. A benzene sulfonate anion is present for charge balance and interacts with the aromatic H atoms on both imidazole rings as well as with the methyl groups on the rings.
topic crystal structure
tosylate
imidazolium
ionic crystal
url http://scripts.iucr.org/cgi-bin/paper?S2414314620006896
work_keys_str_mv AT noahcyr 23dimethyl1himidazol3iumbenzenesulfonate12dimethyl1himidazolecocrystal
AT matthiaszeller 23dimethyl1himidazol3iumbenzenesulfonate12dimethyl1himidazolecocrystal
AT patrickchillesheim 23dimethyl1himidazol3iumbenzenesulfonate12dimethyl1himidazolecocrystal
AT arsalanmirjafari 23dimethyl1himidazol3iumbenzenesulfonate12dimethyl1himidazolecocrystal
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