1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate
The title compound, C21H25N2+·ClO4−, arose as an unexpected oxidation product of the carbene 1,3-bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidine in methanol. It crystallizes with two unique cations and anions in the P-type monoclinic unit cell. The five-membered cationic imidazolium rin...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-04-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314619004942 |
| _version_ | 1819157225539633152 |
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| author | Ruiyao Wang Manuel A.S. Aquino |
| author_facet | Ruiyao Wang Manuel A.S. Aquino |
| author_sort | Ruiyao Wang |
| collection | DOAJ |
| description | The title compound, C21H25N2+·ClO4−, arose as an unexpected oxidation product of the carbene 1,3-bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidine in methanol. It crystallizes with two unique cations and anions in the P-type monoclinic unit cell. The five-membered cationic imidazolium rings are essentially planar and in each imidazolium cation the phenyl rings of the 2,4,6-trimethylphenyl groups are staggered with respect to the imidazolium ring [dihedral angles ranging from 60.9 (3) to 86.3 (3)°]. In the crystal, a hydrogen-bonding network is created via C—H...O interactions between the imidazolium ring H atoms and the perchlorate-anion oxygen atoms. The crystal studied was refined as an inversion twin. |
| first_indexed | 2024-12-22T16:05:23Z |
| format | Article |
| id | doaj.art-b5431b94b8b04b5aa8a3f256d8b8b901 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-22T16:05:23Z |
| publishDate | 2019-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-b5431b94b8b04b5aa8a3f256d8b8b9012022-12-21T18:20:36ZengInternational Union of CrystallographyIUCrData2414-31462019-04-0144x19049410.1107/S2414314619004942sj42021,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorateRuiyao Wang0Manuel A.S. Aquino1Department of Chemistry, Xi'an Jiaotong-Liverpool University, 111 Renai Road, Suzhou, Jiangsu, 215123, People's Republic of ChinaDepartment of Chemistry, St. Francis Xavier University, P.O. Box 5000, Antigonish, Nova Scotia, B2G 2W5, CanadaThe title compound, C21H25N2+·ClO4−, arose as an unexpected oxidation product of the carbene 1,3-bis(2,4,6-trimethylphenyl)-1,3-dihydro-2H-imidazol-2-ylidine in methanol. It crystallizes with two unique cations and anions in the P-type monoclinic unit cell. The five-membered cationic imidazolium rings are essentially planar and in each imidazolium cation the phenyl rings of the 2,4,6-trimethylphenyl groups are staggered with respect to the imidazolium ring [dihedral angles ranging from 60.9 (3) to 86.3 (3)°]. In the crystal, a hydrogen-bonding network is created via C—H...O interactions between the imidazolium ring H atoms and the perchlorate-anion oxygen atoms. The crystal studied was refined as an inversion twin.http://scripts.iucr.org/cgi-bin/paper?S2414314619004942crystal structureimidazoliumcarbene |
| spellingShingle | Ruiyao Wang Manuel A.S. Aquino 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate IUCrData crystal structure imidazolium carbene |
| title | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate |
| title_full | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate |
| title_fullStr | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate |
| title_full_unstemmed | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate |
| title_short | 1,3-Bis(2,4,6-trimethylphenyl)imidazolium perchlorate |
| title_sort | 1 3 bis 2 4 6 trimethylphenyl imidazolium perchlorate |
| topic | crystal structure imidazolium carbene |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314619004942 |
| work_keys_str_mv | AT ruiyaowang 13bis246trimethylphenylimidazoliumperchlorate AT manuelasaquino 13bis246trimethylphenylimidazoliumperchlorate |