4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hydrazin-1-yl]benzonitrile
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, vol.66, 2010 (SCI-Expanded, Scopus)
- Publication Type: Article / Article
- Volume: 66
- Publication Date: 2010
- Doi Number: 10.1107/s1600536810024025
- Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Open Archive Collection: AVESIS Open Access Collection
- Anadolu University Affiliated: Yes
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) angstrom]. The nitrile group and the attached benzene ring are roughly coplanar [maximum deviation = 0.087 (1) angstrom]. An intramolecular N-H center dot center dot center dot 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 intermolecular C-H center dot center dot center dot O, C-H center dot center dot center dot N and C-H center dot center dot center dot pi interactions.