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Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine
The title compound, C(24)H(19)NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH(4)I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plan...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443808/ https://www.ncbi.nlm.nih.gov/pubmed/36072513 http://dx.doi.org/10.1107/S2056989022007812 |
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author | Cheng, Dong Meng, Xiang-Zhen Tian, Fuyu Yan, Dong Wang, Xiaofei Qian, Xueli Wang, Junnan |
author_facet | Cheng, Dong Meng, Xiang-Zhen Tian, Fuyu Yan, Dong Wang, Xiaofei Qian, Xueli Wang, Junnan |
author_sort | Cheng, Dong |
collection | PubMed |
description | The title compound, C(24)H(19)NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH(4)I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C—H⋯π interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from H⋯H (50.4%), C⋯H/H⋯C (37.9%) and O⋯H/H⋯O (5.1%) interactions. |
format | Online Article Text |
id | pubmed-9443808 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94438082022-09-06 Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine Cheng, Dong Meng, Xiang-Zhen Tian, Fuyu Yan, Dong Wang, Xiaofei Qian, Xueli Wang, Junnan Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(24)H(19)NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH(4)I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C—H⋯π interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from H⋯H (50.4%), C⋯H/H⋯C (37.9%) and O⋯H/H⋯O (5.1%) interactions. International Union of Crystallography 2022-08-23 /pmc/articles/PMC9443808/ /pubmed/36072513 http://dx.doi.org/10.1107/S2056989022007812 Text en © Cheng et al. 2022 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 Cheng, Dong Meng, Xiang-Zhen Tian, Fuyu Yan, Dong Wang, Xiaofei Qian, Xueli Wang, Junnan Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title_full | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title_short | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
title_sort | crystal structure and hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443808/ https://www.ncbi.nlm.nih.gov/pubmed/36072513 http://dx.doi.org/10.1107/S2056989022007812 |
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