1-Methyl-5-nitroimidazolium chloride
The title salt, C4H6N3O2+·Cl−, exhibits multiple hydrogen-bonding interactions involving the nitroimidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H...Cl interactions, the central...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2022-09-01
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| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314622008781 |
| _version_ | 1811239666153684992 |
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| author | Sophia Bellia Grace Anderson Matthias Zeller Arsalan Mirjafari Patrick C. Hillesheim |
| author_facet | Sophia Bellia Grace Anderson Matthias Zeller Arsalan Mirjafari Patrick C. Hillesheim |
| author_sort | Sophia Bellia |
| collection | DOAJ |
| description | The title salt, C4H6N3O2+·Cl−, exhibits multiple hydrogen-bonding interactions involving the nitroimidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H...Cl interactions, the central aromatic hydrogen atom displays a shorter interaction than the other aromatic hydrogen atom. Finally, interactions are observed between the nitro moiety and methyl H atoms. While no π–π stacking is observed, anion-π interactions are present. The crystal was refined as a two-component twin. |
| first_indexed | 2024-04-12T13:05:07Z |
| format | Article |
| id | doaj.art-c70997b19b5d4cceba9f43106e4ae416 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T13:05:07Z |
| publishDate | 2022-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-c70997b19b5d4cceba9f43106e4ae4162022-12-22T03:32:04ZengInternational Union of CrystallographyIUCrData2414-31462022-09-0179x22087810.1107/S2414314622008781tk40831-Methyl-5-nitroimidazolium chlorideSophia Bellia0Grace Anderson1Matthias Zeller2Arsalan Mirjafari3Patrick C. Hillesheim4Ave Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria, Florida 34142, USADepartment of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, Florida 33965, USAPurdue University, Department of Chemistry, 560 Oval Drive, West Lafayette, Indiana 47907, USADepartment of Chemistry, State University of New York at Oswego, Oswego, New York 13126, USAAve Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria, Florida 34142, USAThe title salt, C4H6N3O2+·Cl−, exhibits multiple hydrogen-bonding interactions involving the nitroimidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H...Cl interactions, the central aromatic hydrogen atom displays a shorter interaction than the other aromatic hydrogen atom. Finally, interactions are observed between the nitro moiety and methyl H atoms. While no π–π stacking is observed, anion-π interactions are present. The crystal was refined as a two-component twin.http://scripts.iucr.org/cgi-bin/paper?S2414314622008781crystal structureimidazoliumπ-holehydrogen bonding |
| spellingShingle | Sophia Bellia Grace Anderson Matthias Zeller Arsalan Mirjafari Patrick C. Hillesheim 1-Methyl-5-nitroimidazolium chloride IUCrData crystal structure imidazolium π-hole hydrogen bonding |
| title | 1-Methyl-5-nitroimidazolium chloride |
| title_full | 1-Methyl-5-nitroimidazolium chloride |
| title_fullStr | 1-Methyl-5-nitroimidazolium chloride |
| title_full_unstemmed | 1-Methyl-5-nitroimidazolium chloride |
| title_short | 1-Methyl-5-nitroimidazolium chloride |
| title_sort | 1 methyl 5 nitroimidazolium chloride |
| topic | crystal structure imidazolium π-hole hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314622008781 |
| work_keys_str_mv | AT sophiabellia 1methyl5nitroimidazoliumchloride AT graceanderson 1methyl5nitroimidazoliumchloride AT matthiaszeller 1methyl5nitroimidazoliumchloride AT arsalanmirjafari 1methyl5nitroimidazoliumchloride AT patrickchillesheim 1methyl5nitroimidazoliumchloride |