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Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
The crystal structure of the title compound, C(20)H(16)BrN(3)O(2), was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N—H⋯O hydrogen bonds, forming a dimer wit...
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/PMC8900508/ https://www.ncbi.nlm.nih.gov/pubmed/35371550 http://dx.doi.org/10.1107/S2056989022001232 |
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author | Mamedov, Ibrahim G. Khrustalev, Victor N. Akkurt, Mehmet Novikov, Anton P. Asgarova, Ayten R. Aliyeva, Khatira N. Akobirshoeva, Anzurat A. |
author_facet | Mamedov, Ibrahim G. Khrustalev, Victor N. Akkurt, Mehmet Novikov, Anton P. Asgarova, Ayten R. Aliyeva, Khatira N. Akobirshoeva, Anzurat A. |
author_sort | Mamedov, Ibrahim G. |
collection | PubMed |
description | The crystal structure of the title compound, C(20)H(16)BrN(3)O(2), was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N—H⋯O hydrogen bonds, forming a dimer with an R (2) (2)(16) ring motif. The dimers are connected by further N—H⋯O and N—H⋯N hydrogen bonds, forming chains along the c-axis direction·C—Br⋯π interactions between these chains contribute to the stabilization of the molecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H, C⋯H/H⋯C, O⋯H/H⋯O, Br⋯H/H⋯Br and N⋯H/H⋯N interactions. |
format | Online Article Text |
id | pubmed-8900508 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-89005082022-03-31 Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile Mamedov, Ibrahim G. Khrustalev, Victor N. Akkurt, Mehmet Novikov, Anton P. Asgarova, Ayten R. Aliyeva, Khatira N. Akobirshoeva, Anzurat A. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title compound, C(20)H(16)BrN(3)O(2), was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N—H⋯O hydrogen bonds, forming a dimer with an R (2) (2)(16) ring motif. The dimers are connected by further N—H⋯O and N—H⋯N hydrogen bonds, forming chains along the c-axis direction·C—Br⋯π interactions between these chains contribute to the stabilization of the molecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H, C⋯H/H⋯C, O⋯H/H⋯O, Br⋯H/H⋯Br and N⋯H/H⋯N interactions. International Union of Crystallography 2022-02-03 /pmc/articles/PMC8900508/ /pubmed/35371550 http://dx.doi.org/10.1107/S2056989022001232 Text en © Mamedov 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 Mamedov, Ibrahim G. Khrustalev, Victor N. Akkurt, Mehmet Novikov, Anton P. Asgarova, Ayten R. Aliyeva, Khatira N. Akobirshoeva, Anzurat A. Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title | Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_full | Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_short | Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_sort | crystal structure and hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8900508/ https://www.ncbi.nlm.nih.gov/pubmed/35371550 http://dx.doi.org/10.1107/S2056989022001232 |
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