6-(4-Pyrid-yl)-3-(3,4,5-trimethoxy-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(15)N(5)O(3)S, the planar central heterocylic ring system is oriented at dihedral angles of 5.32?(4) and 9.41?(4)°, respectively with respect to trimethoxy-phenyl and pyridine rings. Intra-molecular C-H?N, C-H?O and C-H?S hydrogen bonds result in the formation of a nearly planar six-membered ring, which is oriented at a dihedral angle of 3.07?(5)° with respect to the central heterocylic ring system, and non-planar six- and five-membered rings having twist and envelope conformations, respectively. In the crystal structure, inter-molecular C-H?N and C-H?O hydrogen bonds link the mol-ecules. There is a C-H?? contact between the pyridine ring and a methyl group and a ?-? contact between the central heterocylic ring system and the trimethoxy-phenyl ring [centroid-centroid distance = 3.758?(1)?Å].

SUBMITTER: Du HT 

PROVIDER: S-EPMC2962241 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature