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5-(4-Chloro-anilinomethyl-ene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

ABSTRACT: The title compound, C(13)H(12)ClNO(4), is approximately planar, with a dihedral angle of 8.23?(4)° between the mean plane of the amino-methyl-ene unit and the planar part of the dioxane ring. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is -0.464?(8)?Å out of the plane of the other five atoms. In the mol-ecule there is an intra-molecular N-H?O hydrogen bond, involving the NH H atom and the adjacent dioxane carbonyl O atom. In the crystal, weak intermolecular C-H?O hydrogen-bonding contacts, result in the formation of sheets parallel to the ab plane.

SUBMITTER: Yang JC

PROVIDER: S-EPMC2969334 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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5-(4-Chloro-anilinomethyl-ene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

Yang Jin-Cheng JC Shi Jian-You JY Luo You-Fu YF Qiu Neng N Chen Li-Juan LJ

Acta crystallographica. Section E, Structure reports online 20090627 Pt 7

The title compound, C(13)H(12)ClNO(4), is approximately planar, with a dihedral angle of 8.23 (4)° between the mean plane of the amino-methyl-ene unit and the planar part of the dioxane ring. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is -0.464 (8) Å out of the plane of the other five atoms. In the mol-ecule there is an intra-molecular N-H⋯O hydrogen bond, involving the NH H atom and the adjacent dioxane carbonyl O atom. In the crystal, weak in ...[more]

PMID: 21582958

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