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

Burkin, Gleb; Kvyatkovskaya, Elizaveta; Khrustalev, Victor; Hasanov, Khudayar; Sadikhova, Nurlana; AKKURT, MEHMET; Bhattarai, Ajaya

doi:10.1107/s2056989024002275

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

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

Acta Crystallographica Section E: Crystallographic Communications, cilt.80, sa.Pt 4, ss.418-422, 2024 (ESCI, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 80 Sayı: Pt 4
Basım Tarihi: 2024
Doi Numarası: 10.1107/s2056989024002275
Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.418-422
Anahtar Kelimeler: crystal structure, furan, sulfonamide, macrocycles, hydrogen bonds, C-H center dot center dot center dot pi interactions, Hirshfeld surface analysis
Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
Erciyes Üniversitesi Adresli: Evet

Özet

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.