Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1 H-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate

Gleb M Burkin; Elizaveta A Kvyatkovskaya; Victor N Khrustalev; Khudayar I Hasanov; Nurlana D Sadikhova; Mehmet Akkurt; Ajaya Bhattarai

doi:10.1107/S2056989024002275

Crystal structure and Hirshfeld surface analysis of 8-benzyl-1-[(4-methyl-phen-yl)sulfon-yl]-2,7,8,9-tetra-hydro-1 H-3,6:10,13-diep-oxy-1,8-benzodi-aza-cyclo-penta-decine ethanol hemisolvate

Acta Crystallogr E Crystallogr Commun. 2024 Mar 26;80(Pt 4):418-422. doi: 10.1107/S2056989024002275. eCollection 2024 Mar 1.

Authors

Gleb M Burkin¹, Elizaveta A Kvyatkovskaya¹, Victor N Khrustalev^{1

2}, Khudayar I Hasanov^{3

4}, Nurlana D Sadikhova⁵, Mehmet Akkurt⁶, Ajaya Bhattarai⁷

Affiliations

¹ RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation.
² Zelinsky Institute of Organic Chemistry of RAS, 4, 7 Leninsky Prospect, 119991 Moscow, Russian Federation.
³ Western Caspian University, Istiqlaliyyat Street 31, AZ1001, Baku, Azerbaijan.
⁴ Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14. Baku, AZ 1022, Azerbaijan.
⁵ Department of Chemistry, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
⁶ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye.
⁷ Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.

Abstract

The asymmetric unit of the title compound, 2C₃₁H₂₈N₂O₄S·C₂H₆O, contains a parent mol-ecule and a half mol-ecule of ethanol solvent. The main compound stabilizes its mol-ecular conformation by forming a ring with an R ₁ ²(7) motif with the ethanol solvent mol-ecule. In the crystal, mol-ecules are connected by C-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions also strengthen the mol-ecular packing.

Keywords: C—H⋯π interactions; Hirshfeld surface analysis; crystal structure; furan; hydrogen bonds; macrocycles; sulfonamide.

Grants and funding

This publication was supported by the Russian Science Foundation (https://rscf.ru/project/24-73-00231/). This work has also been supported by the Western Caspian University (Azerbaijan), Azerbaijan Medical University and Baku State University.