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2,2-Dimethyl-5-[(3-nitro-anilino)methyl-ene]-1,3-dioxane-4,6-dione.

ABSTRACT: The benzene ring of the title compound, C(13)H(12)N(2)O(6), is twisted away from the planes of the amino-methyl-ene unit and the dioxane ring by 30.13?(4) and 35.89?(4)°, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553?(8)?Å out-of-plane. An intra-molecular N-H?O hydrogen bond stabilizes the conformation of the dioxane ring with the amino-methyl-ene group [the dihedral angle between the mean planes of the dioxane ring and the amino-methyl-ene group is 11.61?(4)°]. In the crystal, a three-dimensional framework is built via weak inter-molecular N-H?O and C-H?O inter-actions.

SUBMITTER: Zhou M

PROVIDER: S-EPMC2970156 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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2,2-Dimethyl-5-[(3-nitro-anilino)methyl-ene]-1,3-dioxane-4,6-dione.

Zhou Meng M Li Rui R Ding Zhen-Yu ZY

Acta crystallographica. Section E, Structure reports online 20090815 Pt 9

The benzene ring of the title compound, C(13)H(12)N(2)O(6), is twisted away from the planes of the amino-methyl-ene unit and the dioxane ring by 30.13 (4) and 35.89 (4)°, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553 (8) Å out-of-plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the conformation of the dioxane ring with the amino-methyl-ene group [the dihedral angle between the mean planes of the dioxane ring and ...[more]

PMID: 21577577

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