3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide
The cation of the title salt, C15H14N3O3+·Br−, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitrophenyl rings and the N—C—C—O torsion angle associated with the hydroxyethyl substituent is 60.15 (17)°. In the crystal, the bromide ions act as double acceptors for hydrogen bonds...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2024-12-01
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| Series: | IUCrData |
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| Online Access: | https://journals.iucr.org/paper?S2414314624011684 |
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| author | Halliru Ibrahim Sizwe J. Zamisa Muhammad D. Bala Pinkie Ntola Holger B. Friedrich |
| author_facet | Halliru Ibrahim Sizwe J. Zamisa Muhammad D. Bala Pinkie Ntola Holger B. Friedrich |
| author_sort | Halliru Ibrahim |
| collection | DOAJ |
| description | The cation of the title salt, C15H14N3O3+·Br−, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitrophenyl rings and the N—C—C—O torsion angle associated with the hydroxyethyl substituent is 60.15 (17)°. In the crystal, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H...Br) and a fused imidazolium moiety (C—H...Br). Additionally, C—H...O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supramolecular network extending diagonally in the crystallographic bc plane. |
| format | Article |
| id | doaj-art-e72b452bf6f34a25a95b3d1cfc00a538 |
| institution | Kabale University |
| issn | 2414-3146 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj-art-e72b452bf6f34a25a95b3d1cfc00a5382025-01-06T09:23:34ZengInternational Union of CrystallographyIUCrData2414-31462024-12-01912x24116810.1107/S2414314624011684hb44983-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromideHalliru Ibrahim0Sizwe J. Zamisa1Muhammad D. Bala2Pinkie Ntola3Holger B. Friedrich4Department of Chemistry, Durban University of Technology, PO Box 1334, Durban, 4000, South AfricaSchool of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South AfricaSchool of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South AfricaDepartment of Chemistry, Durban University of Technology, PO Box 1334, Durban, 4000, South AfricaSchool of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban, 4000, South AfricaThe cation of the title salt, C15H14N3O3+·Br−, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitrophenyl rings and the N—C—C—O torsion angle associated with the hydroxyethyl substituent is 60.15 (17)°. In the crystal, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H...Br) and a fused imidazolium moiety (C—H...Br). Additionally, C—H...O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supramolecular network extending diagonally in the crystallographic bc plane.https://journals.iucr.org/paper?S2414314624011684crystal structurebenzoimidazolium salttetramer |
| spellingShingle | Halliru Ibrahim Sizwe J. Zamisa Muhammad D. Bala Pinkie Ntola Holger B. Friedrich 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide IUCrData crystal structure benzoimidazolium salt tetramer |
| title | 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide |
| title_full | 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide |
| title_fullStr | 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide |
| title_full_unstemmed | 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide |
| title_short | 3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide |
| title_sort | 3 2 hydroxyethyl 1 4 nitrophenyl 1h benzo d imidazol 3 ium bromide |
| topic | crystal structure benzoimidazolium salt tetramer |
| url | https://journals.iucr.org/paper?S2414314624011684 |
| work_keys_str_mv | AT halliruibrahim 32hydroxyethyl14nitrophenyl1hbenzodimidazol3iumbromide AT sizwejzamisa 32hydroxyethyl14nitrophenyl1hbenzodimidazol3iumbromide AT muhammaddbala 32hydroxyethyl14nitrophenyl1hbenzodimidazol3iumbromide AT pinkientola 32hydroxyethyl14nitrophenyl1hbenzodimidazol3iumbromide AT holgerbfriedrich 32hydroxyethyl14nitrophenyl1hbenzodimidazol3iumbromide |