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Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate
In the title compound, C(22)H(22)N(2)O(3), the plane of the five-membered ring is oriented at dihedral angles of 45.4 (1) and 52.5 (1)° to the phenyl rings. Furthermore, this ring makes an angle of 85.2 (2)° with the plane of the ethyl acetate substituent. The molecular structure is affected by an...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778819/ https://www.ncbi.nlm.nih.gov/pubmed/27006805 http://dx.doi.org/10.1107/S2056989016002504 |
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author | Prabha, E. Arockia Jeya Yasmi Kumar, S. Suresh Padala, Anil K. Ahmed, Qazi Naveed Athimoolam, S. |
author_facet | Prabha, E. Arockia Jeya Yasmi Kumar, S. Suresh Padala, Anil K. Ahmed, Qazi Naveed Athimoolam, S. |
author_sort | Prabha, E. Arockia Jeya Yasmi |
collection | PubMed |
description | In the title compound, C(22)H(22)N(2)O(3), the plane of the five-membered ring is oriented at dihedral angles of 45.4 (1) and 52.5 (1)° to the phenyl rings. Furthermore, this ring makes an angle of 85.2 (2)° with the plane of the ethyl acetate substituent. The molecular structure is affected by an intramolecular C—H⋯O hydrogen bond between an H atom from the p-tolyl group and the carbonyl O atom of the acetate. The methyl group of the ethyl acetate residue is disordered over two sites with equal occupancies. The crystal structure features intermolecular C—H⋯O and C—H⋯N interactions. One of the C—H⋯O hydrogen bonds forms a C(5) chain motif extending along the a axis. In addition, C—H⋯N contacts form inversion dimers with R (2) (2)(12) ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent. |
format | Online Article Text |
id | pubmed-4778819 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47788192016-03-22 Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate Prabha, E. Arockia Jeya Yasmi Kumar, S. Suresh Padala, Anil K. Ahmed, Qazi Naveed Athimoolam, S. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(22)H(22)N(2)O(3), the plane of the five-membered ring is oriented at dihedral angles of 45.4 (1) and 52.5 (1)° to the phenyl rings. Furthermore, this ring makes an angle of 85.2 (2)° with the plane of the ethyl acetate substituent. The molecular structure is affected by an intramolecular C—H⋯O hydrogen bond between an H atom from the p-tolyl group and the carbonyl O atom of the acetate. The methyl group of the ethyl acetate residue is disordered over two sites with equal occupancies. The crystal structure features intermolecular C—H⋯O and C—H⋯N interactions. One of the C—H⋯O hydrogen bonds forms a C(5) chain motif extending along the a axis. In addition, C—H⋯N contacts form inversion dimers with R (2) (2)(12) ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent. International Union of Crystallography 2016-02-17 /pmc/articles/PMC4778819/ /pubmed/27006805 http://dx.doi.org/10.1107/S2056989016002504 Text en © Prabha et al. 2016 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 | Research Communications Prabha, E. Arockia Jeya Yasmi Kumar, S. Suresh Padala, Anil K. Ahmed, Qazi Naveed Athimoolam, S. Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title | Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title_full | Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title_fullStr | Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title_full_unstemmed | Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title_short | Crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1H-imidazol-1-yl]acetate |
title_sort | crystal structure of ethyl 2-[2-(4-methylbenzoyl)-5-p-tolyl-1h-imidazol-1-yl]acetate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778819/ https://www.ncbi.nlm.nih.gov/pubmed/27006805 http://dx.doi.org/10.1107/S2056989016002504 |
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