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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...

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Autores principales: Mamedov, Ibrahim G., Khrustalev, Victor N., Akkurt, Mehmet, Novikov, Anton P., Asgarova, Ayten R., Aliyeva, Khatira N., Akobirshoeva, Anzurat A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
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.
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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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