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Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
The central tetrahydropyridine ring of the title compound, C(19)H(17)N(3)O(2), adopts a screw-boat conformation. In the crystal, strong C—H⋯O and N—H⋯N hydrogen bonds form dimers with R (2) (2)(14) and R (2) (2)(12) ring motifs, respectively, between consecutive molecules along the c-axis directi...
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/PMC8900505/ https://www.ncbi.nlm.nih.gov/pubmed/35371539 http://dx.doi.org/10.1107/S205698902200175X |
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author | Asadov, Khammed A. Khrustalev, Victor N. Dobrokhotova, Ekaterina V. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Huseynov, Elnur Z. |
author_facet | Asadov, Khammed A. Khrustalev, Victor N. Dobrokhotova, Ekaterina V. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Huseynov, Elnur Z. |
author_sort | Asadov, Khammed A. |
collection | PubMed |
description | The central tetrahydropyridine ring of the title compound, C(19)H(17)N(3)O(2), adopts a screw-boat conformation. In the crystal, strong C—H⋯O and N—H⋯N hydrogen bonds form dimers with R (2) (2)(14) and R (2) (2)(12) ring motifs, respectively, between consecutive molecules along the c-axis direction. Intermolecular N—H⋯O and C—H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C—H⋯π interactions and π–π stacking interactions contribute to the stabilization of the molecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%). |
format | Online Article Text |
id | pubmed-8900505 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-89005052022-03-31 Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile Asadov, Khammed A. Khrustalev, Victor N. Dobrokhotova, Ekaterina V. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Huseynov, Elnur Z. Acta Crystallogr E Crystallogr Commun Research Communications The central tetrahydropyridine ring of the title compound, C(19)H(17)N(3)O(2), adopts a screw-boat conformation. In the crystal, strong C—H⋯O and N—H⋯N hydrogen bonds form dimers with R (2) (2)(14) and R (2) (2)(12) ring motifs, respectively, between consecutive molecules along the c-axis direction. Intermolecular N—H⋯O and C—H⋯O hydrogen bonds connect these dimers, forming a three-dimensional network. C—H⋯π interactions and π–π stacking interactions contribute to the stabilization of the molecular packing. A Hirshfeld surface analysis indicates that the contributions from the most prevalent interactions are H⋯H (47.1%), C⋯H/H⋯C (20.9%), O⋯H/H⋯O (15.3%) and N⋯H/H⋯N (11.4%). International Union of Crystallography 2022-02-22 /pmc/articles/PMC8900505/ /pubmed/35371539 http://dx.doi.org/10.1107/S205698902200175X Text en © Asadov 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 Asadov, Khammed A. Khrustalev, Victor N. Dobrokhotova, Ekaterina V. Akkurt, Mehmet Huseynova, Afet T. Akobirshoeva, Anzurat A. Huseynov, Elnur Z. Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_full | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_short | Crystal structure and Hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
title_sort | crystal structure and hirshfeld surface analysis of 2-amino-4-(4-methoxyphenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8900505/ https://www.ncbi.nlm.nih.gov/pubmed/35371539 http://dx.doi.org/10.1107/S205698902200175X |
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