3,6-Bis(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(21)H(22)N(4)O(6)S, the planar central heterocyclic ring system is oriented with respect to the trimethoxy-phenyl rings at dihedral angles of 2.60?(5) and 3.60?(6)°. Intra-molecular C-H?N and C-H?S hydrogen bonds result in the formation of planar five- and six-membered rings. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is a C-H?? contact between a methyl group and a trimethoxy-phenyl ring, and a ?-? contact between the central heterocyclic ring system and a trimethoxy-phenyl ring [centroid-centroid distance = 3.640?(1)?Å].

SUBMITTER: Du HT 

PROVIDER: S-EPMC2962044 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature