Crystal structure and Hirshfeld surface analysis of (Z)-4-({[2-(benzo[b]thiophen-3-yl)cyclopent-1-en-1-yl]methyl}(phenyl)amino)-4-oxobut-2-enoic acid

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Atıf İçin Kopyala

Yakovleva E. D., Shelukho E. R., Grigoriev M. S., Hasanov K. I., Sadikhova N. D., AKKURT M., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.80, ss.537-542, 2024 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 80
• Basım Tarihi: 2024
• Doi Numarası: 10.1107/s2056989024003232
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.537-542
• Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, molecules are linked by C-H center dot center dot center dot pi interactions, forming ribbons along the a axis. Intermolecular C-H center dot center dot center dot O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (0 (1) over bar1) plane. The molecular packing is strengthened by van der Waals interactions between the layers. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H center dot center dot center dot H 46.0%, C center dot center dot center dot H/H center dot center dot center dot C 21.1%, O center dot center dot center dot H/H center dot center dot center dot O 20.6% and S center dot center dot center dot H/H center dot center dot center dot S 9.0%.