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Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide
The title molecule, C(21)H(26)N(2)O(3), adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O hydrogen...
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/PMC9361381/ https://www.ncbi.nlm.nih.gov/pubmed/35974829 http://dx.doi.org/10.1107/S2056989022007605 |
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author | Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abdel-Rahman, Laila H. Abdel-Hameed, Mohamed Albayati, Mustafa R. Al-Taif, Elham A. |
author_facet | Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abdel-Rahman, Laila H. Abdel-Hameed, Mohamed Albayati, Mustafa R. Al-Taif, Elham A. |
author_sort | Mohamed, Shaaban K. |
collection | PubMed |
description | The title molecule, C(21)H(26)N(2)O(3), adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O hydrogen bonds form chains of molecules extending along the c-axis direction, together with normal van der Waals contacts. The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (62.6%), C⋯H/H⋯C (15.8%) and O⋯H/H⋯O (15.3%) contacts. |
format | Online Article Text |
id | pubmed-9361381 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-93613812022-08-15 Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abdel-Rahman, Laila H. Abdel-Hameed, Mohamed Albayati, Mustafa R. Al-Taif, Elham A. Acta Crystallogr E Crystallogr Commun Research Communications The title molecule, C(21)H(26)N(2)O(3), adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O hydrogen bonds form chains of molecules extending along the c-axis direction, together with normal van der Waals contacts. The roles of the various intermolecular interactions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (62.6%), C⋯H/H⋯C (15.8%) and O⋯H/H⋯O (15.3%) contacts. International Union of Crystallography 2022-07-29 /pmc/articles/PMC9361381/ /pubmed/35974829 http://dx.doi.org/10.1107/S2056989022007605 Text en © Mohamed 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 Mohamed, Shaaban K. Mague, Joel T. Akkurt, Mehmet Abdel-Rahman, Laila H. Abdel-Hameed, Mohamed Albayati, Mustafa R. Al-Taif, Elham A. Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title | Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title_full | Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title_short | Crystal structure and Hirshfeld surface analysis of (±)-N′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
title_sort | crystal structure and hirshfeld surface analysis of (±)-n′-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361381/ https://www.ncbi.nlm.nih.gov/pubmed/35974829 http://dx.doi.org/10.1107/S2056989022007605 |
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