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

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Naghiyev F. N., Khrustalev V. N., Novikov A. P., AKKURT M., Khalilov A. N., Bhattarai A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, sa.Pt 4, ss.254-258, 2023 (Scopus) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79 Sayı: Pt 4
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s2056989023001718
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Scopus
  • Sayfa Sayıları: ss.254-258
  • Anahtar Kelimeler: crystal structure, hydrogen-bonding, C-H - - -pi interactions, bicyclo [3.3.1]nonane, ring system, Hirshfeld surface analysis.
  • Erciyes Üniversitesi Adresli: Evet

Özet

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.