Crystal structure and Hirshfeld surface analysis of (3aRS,4RS,10SR,10aSR)-2-(3,5-dimethylphenyl)-4-hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10ahexahydro-1H-[1]benzofuro[2,3-f]isoindole-10-carboxylic acid dimethylformamide monosolvate

Yakovleva, Elizaveta; Salakhova, Victoria; Khrustalev, Victor; Nazarova, Roya; Hasanov, Khudayar; Javadzade, Tahir; AKKURT, MEHMET; Manahelohe, Gizachew

doi:10.1107/s2056989025006814

Crystal structure and Hirshfeld surface analysis of (3aRS,4RS,10SR,10aSR)-2-(3,5-dimethylphenyl)-4-hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10ahexahydro-1H-[1]benzofuro[2,3-f]isoindole-10-carboxylic acid dimethylformamide monosolvate

Yakovleva E. D., Salakhova V. I., Khrustalev V. N., Nazarova R. Z., Hasanov K. I., Javadzade T. A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.81, sa.Pt 9, ss.816-820, 2025 (ESCI, Scopus)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 81 Sayı: Pt 9
Basım Tarihi: 2025
Doi Numarası: 10.1107/s2056989025006814
Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.816-820
Anahtar Kelimeler: crystal structure, hydrogen bonds, envelope conformation, Hirshfeld surface analysis
Erciyes Üniversitesi Adresli: Evet

Özet

The molecular conformation of the title compound, C24H23NO5·C3H7NO, is consolidated by intramolecular C—H· · ·O O—H· · ·O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H· · ·O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the molecules form layers parallel to the (102) plane by C—H· · ·π interactions. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H· · ·H (54.7%), O· · ·H/H· · ·O (23.0%), and C· · ·H/H· · ·C (19.9%) contacts.