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Ethyl 5-[6-(furan-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazol-3-yl]-2,6-di-methylnicotinate.

ABSTRACT: In the title compound, C(17)H(15)N(5)O(3)S, the plane of the triazolo-thia-diazole system forms dihedral angles of 15.68 and 4.46° with the planes of the pyridine and furan rings, respectively. In the mol-ecule, there is an intra-molecular C-H?N inter-action. The crystal structure also contains other inter-molecular inter-actions, such as C-H?O hydrogen bonds, ?-? stacking (centroid-centroid distances = 3.746 and 3.444?Å), non-bonded S?N [3.026?(2)?Å] and C-H?? inter-actions.

SUBMITTER: Lu D

PROVIDER: S-EPMC2915037 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Ethyl 5-[6-(furan-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazol-3-yl]-2,6-di-methylnicotinate.

Lu Dongliang D Zhang Min M Song Liping L Tan Qiwen Q Shao Min M

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(17)H(15)N(5)O(3)S, the plane of the triazolo-thia-diazole system forms dihedral angles of 15.68 and 4.46° with the planes of the pyridine and furan rings, respectively. In the mol-ecule, there is an intra-molecular C-H⋯N inter-action. The crystal structure also contains other inter-molecular inter-actions, such as C-H⋯O hydrogen bonds, π-π stacking (centroid-centroid distances = 3.746 and 3.444 Å), non-bonded S⋯N [3.026 (2) Å] and C-H⋯π inter-actions. ...[more]

PMID: 21200958

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