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


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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.80, pp.537-542, 2024 (ESCI) identifier identifier identifier

Abstract

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%.