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Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile

The central cyclo­hexane ring of the title compound, C(32)H(28)N(2)O(4), adopts a chair conformation, with puckering parameters Q (T) = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°. In the crystal, mol­ecules are linked by O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (100). Th...

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Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Dobrokhotova, Ekaterina V., Akkurt, Mehmet, Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431776/
https://www.ncbi.nlm.nih.gov/pubmed/36072134
http://dx.doi.org/10.1107/S2056989022004777
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author Naghiyev, Farid N.
Khrustalev, Victor N.
Dobrokhotova, Ekaterina V.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_facet Naghiyev, Farid N.
Khrustalev, Victor N.
Dobrokhotova, Ekaterina V.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
author_sort Naghiyev, Farid N.
collection PubMed
description The central cyclo­hexane ring of the title compound, C(32)H(28)N(2)O(4), adopts a chair conformation, with puckering parameters Q (T) = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°. In the crystal, mol­ecules are linked by O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (100). These layers are linked by weak C—H⋯π inter­actions and van der Waals forces. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter­actions are H⋯H (41.2% contribution), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%).
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spelling pubmed-94317762022-09-06 Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile Naghiyev, Farid N. Khrustalev, Victor N. Dobrokhotova, Ekaterina V. Akkurt, Mehmet Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications The central cyclo­hexane ring of the title compound, C(32)H(28)N(2)O(4), adopts a chair conformation, with puckering parameters Q (T) = 0.618 (2) Å, θ = 176.72 (19)° and φ = 290 (3)°. In the crystal, mol­ecules are linked by O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds, forming layers parallel to (100). These layers are linked by weak C—H⋯π inter­actions and van der Waals forces. A Hirshfeld surface analysis indicates that the contributions from the most prevalent inter­actions are H⋯H (41.2% contribution), C⋯H/H⋯C (20.3%), O⋯H/H⋯O (17.8%) and N⋯H/H⋯N (10.6%). International Union of Crystallography 2022-05-13 /pmc/articles/PMC9431776/ /pubmed/36072134 http://dx.doi.org/10.1107/S2056989022004777 Text en © Naghiyev 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
Naghiyev, Farid N.
Khrustalev, Victor N.
Dobrokhotova, Ekaterina V.
Akkurt, Mehmet
Khalilov, Ali N.
Bhattarai, Ajaya
Mamedov, İbrahim G.
Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_full Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_short Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_sort crystal structure and hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenyl­butan-2-yl)-2-hy­droxy-2-methyl-4-phenyl­cyclo­hexane-1,1-dicarbo­nitrile
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431776/
https://www.ncbi.nlm.nih.gov/pubmed/36072134
http://dx.doi.org/10.1107/S2056989022004777
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