4-[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)hydrazin-1-yl]benzonitrile


ÇOLAK N., YILDIRIR Y., Tercan B., Ermis E., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, cilt.66, 2010 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 66
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1107/s1600536810024025
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Özet

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.