Crystal structure and Hirshfeld surface analysis of ( Z )-4-({[2-(benzo[ b ]thio-phen-3-yl)cyclo-pent-1-en-1-yl]meth-yl}(phen-yl)amino)-4-oxobut-2-enoic acid.

Autor: Yakovleva ED; RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation., Shelukho ER; RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation., Grigoriev MS; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Leninskiy prospect 31-4, Moscow 119071, Russian Federation., Hasanov KI; Western Caspian University, Istiqlaliyyat Street 31, AZ 1001, Baku, Azerbaijan.; Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14, AZ 1022, Baku, Azerbaijan., Sadikhova ND; Department of Chemistry, Baku State University, Z. Xalilov Str. 23, AZ 1148 Baku, Azerbaijan., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye., Bhattarai A; Department of Chemistry, M.M.A.M.C. (Tribhuvan University), Biratnagar, Nepal.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2024 Apr 26; Vol. 80 (Pt 5), pp. 537-542. Date of Electronic Publication: 2024 Apr 26 (Print Publication: 2024).
DOI: 10.1107/S2056989024003232
Abstrakt: In the title compound, C 24 H 21 NO 3 S, the cyclopentene ring adopts an envelope conformation. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming ribbons along the a axis. Inter-molecular C-H⋯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (01) plane. The mol-ecular packing is strengthened by van der Waals inter-actions between the layers. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 46.0%, C⋯H/H⋯C 21.1%, O⋯H/H⋯O 20.6% and S⋯H/H⋯S 9.0%.
(© Yakovleva et al. 2024.)
Databáze: MEDLINE
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