Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymeth-yl)-4 H-1,2,4-triazol-3-yl]sulfan-yl}acetate

Rawia Imane Bahoussi; Ahmed Djafri; Abdelkader Chouaih; Ayada Djafri; Fodil Hamzaoui

doi:10.1107/S205698901700041X

Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymeth-yl)-4 H-1,2,4-triazol-3-yl]sulfan-yl}acetate

Acta Crystallogr E Crystallogr Commun. 2017 Jan 13;73(Pt 2):173-176. doi: 10.1107/S205698901700041X. eCollection 2017 Feb 1.

Authors

Rawia Imane Bahoussi¹, Ahmed Djafri², Abdelkader Chouaih¹, Ayada Djafri³, Fodil Hamzaoui¹

Affiliations

¹ Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University, BP 227 Mostaganem 27000, Algeria.
² Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University, BP 227 Mostaganem 27000, Algeria; Centre de Recherche Scientifique et Technique en Analyses, Physico-chimiques (CRAPC), BP 384-Bou-Ismail-RP 42004, Tipaza, Algeria.
³ Laboratory of Applied Organic Synthesis(LSOA), Department of Chemistry, Faculty of Sciences, University of Oran 1 - Ahmed Ben Bella, 31000 Oran, Algeria.

Abstract

In the title compound, C₁₈H₂₀N₄O₃S, the 1,2,4-triazole ring is twisted with respect to the mean plane of quinoline moiety at 65.24 (4)°. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯N hydrogen bonds, forming the three-dimensional supra-molecular packing. π-π stacking between the quinoline ring systems of neighbouring mol-ecules is also observed, the centroid-to-centroid distance being 3.6169 (6) Å. Hirshfeld surface (HS) analyses were performed.

Keywords: 1,2,4-triazole; Hirshfeld surface analysis; crystal structure; hydrogen bonding; π–π stacking.