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Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid
In the title compound, C(15)H(12)N(2)O(2), the benzimidazole ring system is inclined to the benzene ring by 78.04 (10)°. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonding and C—H⋯π and π–π interactions, which were investigated using Hirshfeld surface analysis.
| Autores principales: | , , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382057/ https://www.ncbi.nlm.nih.gov/pubmed/34513025 http://dx.doi.org/10.1107/S2056989021006435 |
| _version_ | 1783741478151913472 |
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| author | Ali, Arif Muslim, Mohd Kamaal, Saima Ahmed, Adeeba Ahmad, Musheer Shahid, M. Khan, Jamal A. Dege, Necmi Javed, Saleem Mashrai, Ashraf |
| author_facet | Ali, Arif Muslim, Mohd Kamaal, Saima Ahmed, Adeeba Ahmad, Musheer Shahid, M. Khan, Jamal A. Dege, Necmi Javed, Saleem Mashrai, Ashraf |
| author_sort | Ali, Arif |
| collection | PubMed |
| description | In the title compound, C(15)H(12)N(2)O(2), the benzimidazole ring system is inclined to the benzene ring by 78.04 (10)°. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonding and C—H⋯π and π–π interactions, which were investigated using Hirshfeld surface analysis. |
| format | Online Article Text |
| id | pubmed-8382057 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2021 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-83820572021-09-09 Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid Ali, Arif Muslim, Mohd Kamaal, Saima Ahmed, Adeeba Ahmad, Musheer Shahid, M. Khan, Jamal A. Dege, Necmi Javed, Saleem Mashrai, Ashraf Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(12)N(2)O(2), the benzimidazole ring system is inclined to the benzene ring by 78.04 (10)°. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonding and C—H⋯π and π–π interactions, which were investigated using Hirshfeld surface analysis. International Union of Crystallography 2021-06-30 /pmc/articles/PMC8382057/ /pubmed/34513025 http://dx.doi.org/10.1107/S2056989021006435 Text en © Ali et al. 2021 https://creativecommons.org/licenses/by/4.0/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. |
| spellingShingle | Research Communications Ali, Arif Muslim, Mohd Kamaal, Saima Ahmed, Adeeba Ahmad, Musheer Shahid, M. Khan, Jamal A. Dege, Necmi Javed, Saleem Mashrai, Ashraf Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title | Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title_full | Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title_fullStr | Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title_full_unstemmed | Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title_short | Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1H-benzimidazol-1-yl)methyl]benzoic acid |
| title_sort | crystal structure, hirshfeld and electronic transition analysis of 2-[(1h-benzimidazol-1-yl)methyl]benzoic acid |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8382057/ https://www.ncbi.nlm.nih.gov/pubmed/34513025 http://dx.doi.org/10.1107/S2056989021006435 |
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