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

ABSTRACT: In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino-methyl-ene group and the dioxane ring and between the benzyl ring and the amino-methyl-ene unit are 7.96?(4) and 12.15?(4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460?(8)?Å out of the plane through the remaining ring atoms. An intra-molecular N-H?O hydrogen bond may stabilize the planar conformation of the mol-ecule. An inter-molecular C-H?O inter-action is also present.

SUBMITTER: Shi JY

PROVIDER: S-EPMC2970495 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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

Shi Jian-You JY Yang Jin-Cheng JC Yang Jin-Liang JL

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

In the title compound, C(13)H(12)BrNO(4), the dihedral angles between the amino-methyl-ene group and the dioxane ring and between the benzyl ring and the amino-methyl-ene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Å out of the plane through the remaining ring atoms. An intra-molecular N-H⋯O hydrogen bond may stabilize the planar conformation of the mol-ecule. An inter-molecular ...[more]

PMID: 21577913

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