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Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate

In the title compound, C(32)H(29)N(5)O(2)·C(3)H(7)NO, the bi­cyclo[3.3.1]nonane ring sys­tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi­cyclo­[2.2.2]octane ring system exhibit a...

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Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Novikov, Anton P., Akkurt, Mehmet, Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088326/
https://www.ncbi.nlm.nih.gov/pubmed/37057030
http://dx.doi.org/10.1107/S2056989023001718
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author Naghiyev, Farid N.
Khrustalev, Victor N.
Novikov, Anton P.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_facet Naghiyev, Farid N.
Khrustalev, Victor N.
Novikov, Anton P.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_sort Naghiyev, Farid N.
collection PubMed
description In the title compound, C(32)H(29)N(5)O(2)·C(3)H(7)NO, the bi­cyclo[3.3.1]nonane ring sys­tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi­cyclo­[2.2.2]octane ring system exhibit a distorted boat conformation. Inter­molecular C—H⋯O and C—H⋯N hydrogen bonds connect the mol­ecules in the crystal, generating layers extending parallel to (100). These layers are connected by C—H⋯π inter­actions. A Hirshfeld surface analysis was per­formed to qu­antify the contributions of the different inter­molecular inter­actions, indicating that the most important contributions to the crystal packing are from H⋯H (52.5%), N⋯H/H⋯N (19.2%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (8.3%) inter­actions.
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spelling pubmed-100883262023-04-12 Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate Naghiyev, Farid N. Khrustalev, Victor N. Novikov, Anton P. Akkurt, Mehmet Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(32)H(29)N(5)O(2)·C(3)H(7)NO, the bi­cyclo[3.3.1]nonane ring sys­tem adopts a half-chair/twist-boat conformation, with the phenyl rings in equatorial orientations with respect to the piperidine ring. The two oxane rings of the 2-oxabi­cyclo­[2.2.2]octane ring system exhibit a distorted boat conformation. Inter­molecular C—H⋯O and C—H⋯N hydrogen bonds connect the mol­ecules in the crystal, generating layers extending parallel to (100). These layers are connected by C—H⋯π inter­actions. A Hirshfeld surface analysis was per­formed to qu­antify the contributions of the different inter­molecular inter­actions, indicating that the most important contributions to the crystal packing are from H⋯H (52.5%), N⋯H/H⋯N (19.2%), C⋯H/H⋯C (18.8%) and O⋯H/H⋯O (8.3%) inter­actions. International Union of Crystallography 2023-03-02 /pmc/articles/PMC10088326/ /pubmed/37057030 http://dx.doi.org/10.1107/S2056989023001718 Text en © Naghiyev et al. 2023 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
Naghiyev, Farid N.
Khrustalev, Victor N.
Novikov, Anton P.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title_full Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title_fullStr Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title_short Crystal structure and Hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2H-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile N,N-di­methyl­formamide monosolvate
title_sort crystal structure and hirshfeld surface analysis of 2,5-di­imino-8a-methyl-4,9-bis­(4-methyl­phen­yl)-7-oxo-6-phenyl-deca­hydro-2h-3,8-methano­pyrano[3,2-c]pyridine-3,4a-dicarbo­nitrile n,n-di­methyl­formamide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10088326/
https://www.ncbi.nlm.nih.gov/pubmed/37057030
http://dx.doi.org/10.1107/S2056989023001718
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