3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-1-(morpholinometh-yl)-4-(4-nitro-benzyl-ideneamino)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title ibuprofen-containing Mannich derivative, C(26)H(32)N(6)O(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The morpholine ring in each mol-ecule adopts a chair conformation. The 1,2,4-triazole ring forms dihedral angles of 2.13 (10) and 75.52 (10)° with the two substituted benzene rings in one mol-ecule, with corresponding values of 19.36 (11)° and 89.03 (10)° in the other. The nitro groups are twisted from the attached benzene ring in each mol-ecule. In the crystal packing, mol-ecules are linked into supra-molecular chains via weak C-H⋯O, C-H⋯N and C-H⋯S inter-actions, and C-H⋯π and N-O⋯π links also occur.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2968455 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature