Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-di-methyl-furan-3-yl)-3-phenyl-prop-2-en-1-one

Ali N Khalilov; Victor N Khrustalev; Aida I Samigullina; Mehmet Akkurt; Rovnag M Rzayev; Ajaya Bhattarai; İbrahim G Mamedov

doi:10.1107/S2056989023006084

Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-di-methyl-furan-3-yl)-3-phenyl-prop-2-en-1-one

Acta Crystallogr E Crystallogr Commun. 2023 Jul 14;79(Pt 8):736-740. doi: 10.1107/S2056989023006084. eCollection 2023 Jul 1.

Authors

Ali N Khalilov^{1

2}, Victor N Khrustalev^{3

4}, Aida I Samigullina⁴, Mehmet Akkurt⁵, Rovnag M Rzayev¹, Ajaya Bhattarai⁶, İbrahim G Mamedov²

Affiliations

¹ "Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan.
² Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148, Baku, Azerbaijan.
³ Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St.6, Moscow, 117198, Russian Federation.
⁴ N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation.
⁵ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
⁶ Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal.

Abstract

The title compound, C₁₅H₁₄O₂, adopts an E configuration about the C=C double bond. The furan ring is inclined to the phenyl ring by 12.03 (9)°. In the crystal, pairs of mol-ecules are linked by C-H⋯O hydrogen bonds, forming dimers with R ² ₂(14) ring motifs. The mol-ecules are connected via C-H⋯π inter-actions, forming a three dimensional network. No π-π inter-actions are observed.

Keywords: 2,4-dimethylfuran; C—H⋯π interactions; Hirshfeld surface analysis; chalcones; crystal structure; hydrogen bond.

Grants and funding

This paper was supported by Baku State University and the RUDN University Strategic Academic Leadership Program.