Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methylphenyl)sulfonyl]-2,7,8,9-tetrahydro-1H-3,6:10,13-diepoxy-1,8-benzodiazacyclopentadecine ethanol hemisolvate

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Burkin G. M., Kvyatkovskaya E. A., Khrustalev V. N., Hasanov K. I., Sadikhova N. D., AKKURT M., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.80, no.Pt 4, pp.418-422, 2024 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 80 Issue: Pt 4
  • Publication Date: 2024
  • Doi Number: 10.1107/s2056989024002275
  • Journal Name: Acta Crystallographica Section E: Crystallographic Communications
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.418-422
  • Keywords: crystal structure, furan, sulfonamide, macrocycles, hydrogen bonds, C-H center dot center dot center dot pi interactions, Hirshfeld surface analysis
  • Erciyes University Affiliated: Yes

Abstract

The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent molecule and a half molecule of ethanol solvent. The main compound stabilizes its molecular conformation by forming a ring with an R12(7) motif with the ethanol solvent molecule. In the crystal, molecules are connected by C—H O and O—H O hydrogen bonds, forming a three-dimensional network. In addition, C—H interactions also strengthen the molecular packing.