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2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)methyl-amino]phen-yl}acetonitrile.

ABSTRACT: The title compound, C(15)H(14)N(2)O(4), is approximately planar, with a dihedral angle of 6.48?(4)° between the amino-methyl-ene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40?(4)° between amino-methyl-ene unit and the phenyl-ene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535?(8)?Å out of the plane. The mol-ecule has an intra-molecular N-H?O hydrogen bond.

SUBMITTER: Li R

PROVIDER: S-EPMC2969579 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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2-{4-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-yl-idene)methyl-amino]phen-yl}acetonitrile.

Li Rui R Ding Zhen-Yu ZY Wei Yu-Quan YQ Ding Jian J

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

The title compound, C(15)H(14)N(2)O(4), is approximately planar, with a dihedral angle of 6.48 (4)° between the amino-methyl-ene unit and the planar five-atom part of the dioxane ring, and a dihedral angle of 2.40 (4)° between amino-methyl-ene unit and the phenyl-ene ring. The dioxane ring is envelope shaped, with the dimethyl-substituted C atom that represents the flap 0.535 (8) Å out of the plane. The mol-ecule has an intra-molecular N-H⋯O hydrogen bond. ...[more]

PMID: 21583155

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