Crystal structure and Hirshfeld surface analysis of (5a S,8a R)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2- b]furan-6-yl (Z)-2-methyl-but-2-enoate extracted from Ferula persica

Elvin G Karimli; Victor N Khrustalev; Margarita N Kurasova; Mehmet Akkurt; Ali N Khalilov; Ajaya Bhattarai; İbrahim G Mamedov

doi:10.1107/S205698902300333X

Crystal structure and Hirshfeld surface analysis of (5a S,8a R)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2- b]furan-6-yl (Z)-2-methyl-but-2-enoate extracted from Ferula persica

Acta Crystallogr E Crystallogr Commun. 2023 Apr 21;79(Pt 5):474-477. doi: 10.1107/S205698902300333X. eCollection 2023 Apr 1.

Authors

Elvin G Karimli¹, Victor N Khrustalev^{2

3}, Margarita N Kurasova², Mehmet Akkurt⁴, Ali N Khalilov^{5

6}, Ajaya Bhattarai⁷, İbrahim G Mamedov⁶

Affiliations

¹ Azerbaijan Medical University, Bakikhanov st. 23, AZ1022, Baku, Azerbaijan.
² Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation.
³ N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation.
⁴ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
⁵ "Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan.
⁶ Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148, Baku, Azerbaijan.
⁷ Department of Chemistry, M.M.A.M.C (Tribhuvan University) Biratnagar, Nepal.

Abstract

In the title compound, C₂₀H₂₆O₅, the two cyclo-hexane rings adopt boat and half-chair conformations. In the crystal, adjacent mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds, forming a three-dimensional network. According to a Hirshfeld surface study, H⋯H inter-actions are the most significant contributors to the crystal packing (63.0%).

Keywords: Ferula persica; Hirshfeld surface analysis; crystal structure; hydrogen bonds; sesquiterpene lactones.

Grants and funding

This study was supported by Azerbaijan Medical University, Baku State University and the RUDN University Strategic Academic Leadership Program.