Cargando…
Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol
The title compound, C(24)H(21)N(3)O(3), crystallizes with two unique but closely r.m.s. overlay fit = 0.215 Å) comparable molecules (1 and 2) in the asymmetric unit of the triclinic unit cell. In molecule 1, the dihedral angles between the central imidazlole ring and the benzene-ring substituents a...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588590/ https://www.ncbi.nlm.nih.gov/pubmed/28932484 http://dx.doi.org/10.1107/S2056989017011057 |
_version_ | 1783262203667808256 |
---|---|
author | Simpson, Jim Mohamed, Shaaban K. Marzouk, Adel A. Abdelhamid, Antar A. Albayati, Mustafa R. |
author_facet | Simpson, Jim Mohamed, Shaaban K. Marzouk, Adel A. Abdelhamid, Antar A. Albayati, Mustafa R. |
author_sort | Simpson, Jim |
collection | PubMed |
description | The title compound, C(24)H(21)N(3)O(3), crystallizes with two unique but closely r.m.s. overlay fit = 0.215 Å) comparable molecules (1 and 2) in the asymmetric unit of the triclinic unit cell. In molecule 1, the dihedral angles between the central imidazlole ring and the benzene-ring substituents are 42.51 (9), 45.41 (9) and 56.92 (8)°, respectively. Comparable data for molecule 2 are 39.36 (10), 34.45 (11) and 60.34 (8)°, respectively. The rings at the 2-positions carry p-nitro substituents that subtend dihedral angles of 12.9 (4)° in molecule 1 and 11.7 (4)° in molecule 2 to their respective benzene ring planes. The imidazole rings also have propan-2-ol substituents on the 1-N atoms, which adopt extended conformations for the N—C—C—C chains. In the crystal, classical O—H⋯N hydrogen bonds combine with C—H⋯O, C—H⋯N and C—H⋯π(ring) hydrogen bonds and stack the molecules along the a-axis direction. |
format | Online Article Text |
id | pubmed-5588590 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-55885902017-09-20 Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol Simpson, Jim Mohamed, Shaaban K. Marzouk, Adel A. Abdelhamid, Antar A. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(24)H(21)N(3)O(3), crystallizes with two unique but closely r.m.s. overlay fit = 0.215 Å) comparable molecules (1 and 2) in the asymmetric unit of the triclinic unit cell. In molecule 1, the dihedral angles between the central imidazlole ring and the benzene-ring substituents are 42.51 (9), 45.41 (9) and 56.92 (8)°, respectively. Comparable data for molecule 2 are 39.36 (10), 34.45 (11) and 60.34 (8)°, respectively. The rings at the 2-positions carry p-nitro substituents that subtend dihedral angles of 12.9 (4)° in molecule 1 and 11.7 (4)° in molecule 2 to their respective benzene ring planes. The imidazole rings also have propan-2-ol substituents on the 1-N atoms, which adopt extended conformations for the N—C—C—C chains. In the crystal, classical O—H⋯N hydrogen bonds combine with C—H⋯O, C—H⋯N and C—H⋯π(ring) hydrogen bonds and stack the molecules along the a-axis direction. International Union of Crystallography 2017-08-30 /pmc/articles/PMC5588590/ /pubmed/28932484 http://dx.doi.org/10.1107/S2056989017011057 Text en © Simpson et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Simpson, Jim Mohamed, Shaaban K. Marzouk, Adel A. Abdelhamid, Antar A. Albayati, Mustafa R. Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title_full | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title_fullStr | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title_full_unstemmed | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title_short | Crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol |
title_sort | crystal structure of 1-[2-(4-nitrophenyl)-4,5-diphenyl-1h-imidazol-1-yl]propan-2-ol |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588590/ https://www.ncbi.nlm.nih.gov/pubmed/28932484 http://dx.doi.org/10.1107/S2056989017011057 |
work_keys_str_mv | AT simpsonjim crystalstructureof124nitrophenyl45diphenyl1himidazol1ylpropan2ol AT mohamedshaabank crystalstructureof124nitrophenyl45diphenyl1himidazol1ylpropan2ol AT marzoukadela crystalstructureof124nitrophenyl45diphenyl1himidazol1ylpropan2ol AT abdelhamidantara crystalstructureof124nitrophenyl45diphenyl1himidazol1ylpropan2ol AT albayatimustafar crystalstructureof124nitrophenyl45diphenyl1himidazol1ylpropan2ol |