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

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. ?-? 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.

SUBMITTER: Bahoussi RI

PROVIDER: S-EPMC5290559 | biostudies-literature | 2017 Feb

REPOSITORIES: biostudies-literature

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

Bahoussi Rawia Imane RI Djafri Ahmed A Chouaih Abdelkader A Djafri Ayada A Hamzaoui Fodil F

Acta crystallographica. Section E, Crystallographic communications 20170113 Pt 2

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 pe ...[more]

PMID: 28217336

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