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

In the title compound, C13H11N3O4, 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 = 0.08...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-07, Vol.66 (7), p.o1784-o1785
Hauptverfasser: Çolak, Naki, Yıldırır, Yılmaz, Tercan, Barış, Ermiş, Emel, Hökelek, Tuncer
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C13H11N3O4, 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 intramolecular 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 intermolecular C—H...O, C—H...N and C—H...π interactions.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810024025