4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)hydrazin-1-yl]benzo-nitrile.

ABSTRACT: In the title compound, C(13)H(11)N(3)O(4), the dioxane ring adopts an envelope conformation with the C atom bonded to the dimethyl group in the flap position [deviation = 0.613?(1)?Å]. The nitrile group and the attached benzene ring are roughly coplanar [maximum deviation = 0.087?(1)?Å]. An intra-molecular N-H?O hydrogen bond involving the hydrazinyl group generates an S(6) ring. The N-N and C-N bond lengths indicate that the compound may be a mixture of the azo and hydrazone tautomeric forms but the presence of the N-bound H atom supports the hydrazone form. The crystal structure is stabilized by weak inter-molecular C-H?O, C-H?N and C-H?? inter-actions.

SUBMITTER: Colak N 

PROVIDER: S-EPMC3007023 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature