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-dimethyl-formamide monosolvate

In the title compound, C32H29N5O2·C3H7NO, 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. © 2023 International Union of Crystallography. All rights reserved.

Авторы
Naghiyev F.N. , Khrustalev V.N. , Novikov A.P. , Akkurt M. , Khalilov A.N. , Bhattarai A. , Mamedov İ.G.
Издательство
International Union of Crystallography
Номер выпуска
Pt 4
Язык
Английский
Страницы
254-258
Статус
Опубликовано
Том
79
Год
2023
Организации
  • 1 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Baku, Az 1148, Azerbaijan
  • 2 Peoples’ Friendship University of Russia (RUDN University), Miklukho-Maklay St.6, Moscow, 117198, Russian Federation
  • 3 N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 4 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 5 Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Baku, Az 1063, Azerbaijan
  • 6 Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal
Ключевые слова
bicyclo [3.3.1]nonane ring system; crystal structure; C—H· · ·π interactions; Hirshfeld surface analysis; hydrogen-bonding
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