Cargando…
Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate
In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014 (1) Å] is inclined at angles of 36.32 (5) and 74.75 (7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water molecules are linked to...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200625/ https://www.ncbi.nlm.nih.gov/pubmed/22058996 http://dx.doi.org/10.1107/S1600536811033654 |
| _version_ | 1782214712782487552 |
|---|---|
| author | Yoon, Yeong Keng Ali, Mohamed Ashraf Wei, Ang Chee Quah, Ching Kheng Fun, Hoong-Kun |
| author_facet | Yoon, Yeong Keng Ali, Mohamed Ashraf Wei, Ang Chee Quah, Ching Kheng Fun, Hoong-Kun |
| author_sort | Yoon, Yeong Keng |
| collection | PubMed |
| description | In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014 (1) Å] is inclined at angles of 36.32 (5) and 74.75 (7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water molecules are linked to the organic molecules to form a three-dimensional network via O—H⋯N and O—H⋯O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C—H⋯O bonds, generating R (1) (2)(6) loops. C—H⋯π interactions are also observed. |
| format | Online Article Text |
| id | pubmed-3200625 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32006252011-11-06 Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate Yoon, Yeong Keng Ali, Mohamed Ashraf Wei, Ang Chee Quah, Ching Kheng Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(21)ClN(4)O(2)·2H(2)O, the almost-planar benzimidazole ring system [maximum deviation 0.014 (1) Å] is inclined at angles of 36.32 (5) and 74.75 (7)° with respect to the phenyl and imidazole rings, respectively. In the crystal structure, the water molecules are linked to the organic molecules to form a three-dimensional network via O—H⋯N and O—H⋯O hydrogen bonds. The packing is further consolidated by a pair of bifurcated C—H⋯O bonds, generating R (1) (2)(6) loops. C—H⋯π interactions are also observed. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200625/ /pubmed/22058996 http://dx.doi.org/10.1107/S1600536811033654 Text en © Yoon et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Yoon, Yeong Keng Ali, Mohamed Ashraf Wei, Ang Chee Quah, Ching Kheng Fun, Hoong-Kun Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title | Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title_full | Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title_fullStr | Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title_full_unstemmed | Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title_short | Ethyl 1-[3-(1H-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1H-benzo[d]imidazole-5-carboxylate dihydrate |
| title_sort | ethyl 1-[3-(1h-imidazol-1-yl)propyl]-2-(4-chlorophenyl)-1h-benzo[d]imidazole-5-carboxylate dihydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200625/ https://www.ncbi.nlm.nih.gov/pubmed/22058996 http://dx.doi.org/10.1107/S1600536811033654 |
| work_keys_str_mv | AT yoonyeongkeng ethyl131himidazol1ylpropyl24chlorophenyl1hbenzodimidazole5carboxylatedihydrate AT alimohamedashraf ethyl131himidazol1ylpropyl24chlorophenyl1hbenzodimidazole5carboxylatedihydrate AT weiangchee ethyl131himidazol1ylpropyl24chlorophenyl1hbenzodimidazole5carboxylatedihydrate AT quahchingkheng ethyl131himidazol1ylpropyl24chlorophenyl1hbenzodimidazole5carboxylatedihydrate AT funhoongkun ethyl131himidazol1ylpropyl24chlorophenyl1hbenzodimidazole5carboxylatedihydrate |