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Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

  • Asmaa Saber
  • , Nada Kheira Sebbar
  • , Tuncer Hökelek
  • , Mohamed El Hafi
  • , Joel T. Mague
  • , El Mokhtar Essassi

Araştırma sonucu: Dergiye katkıMakalebilirkişi

4 Alıntılar (Scopus)

Özet

The title compound, C17H14N2O, is built up from the planar benzodiazole unit linked to the benzyl and propynyl substituents. The substituents are rotated significantly out of the benzodiazole plane, where the benzyl group is inclined by 68.91 (7)° to the benzodiazole unit. In the crystal, the molecules are linked via intermolecular C - HBnzdzl⋯O and C - HBnzy⋯O (Bnzdzl = benzodiazole and Bnzy = benzyl) hydrogen bonds, enclosing R 4 4(27) ring motifs, into a network consisting of rectangular layers parallel to the bc plane which are also stacked along the a-axis direction being associated through C - H⋯π (ring) interactions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (43.6%), H⋯C/C⋯H (42.0%) and H⋯O/O⋯H (8.9%) interactions.

Orijinal dilİngilizce
Sayfa (başlangıç-bitiş)1842-1846
Sayfa sayısı5
DergiActa Crystallographica Section E: Crystallographic Communications
Hacim74
DOI'lar
Yayın durumuYayınlandı - 2018

Parmak izi

Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one' araştırma başlıklarına git. Birlikte benzersiz bir parmak izi oluştururlar.

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