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Crystal structure and Hirshfeld surface analysis of ethyl 2-{[4-ethyl-5-(quinolin-8-yloxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
In the title compound, C(18)H(20)N(4)O(3)S, the 1,2,4-triazole ring is twisted with respect to the mean plane of quinoline moiety at 65.24 (4)°. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming the three-dimensional supramolecular packing. π–π stacking between t...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290559/ https://www.ncbi.nlm.nih.gov/pubmed/28217336 http://dx.doi.org/10.1107/S205698901700041X |
Sumario: | In the title compound, C(18)H(20)N(4)O(3)S, the 1,2,4-triazole ring is twisted with respect to the mean plane of quinoline moiety at 65.24 (4)°. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds, forming the three-dimensional supramolecular packing. π–π stacking between the quinoline ring systems of neighbouring molecules is also observed, the centroid-to-centroid distance being 3.6169 (6) Å. Hirshfeld surface (HS) analyses were performed. |
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