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2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

ABSTRACT: In the title compound, C(12)H(13)ClO(4), the 1,3-dioxane ring adopts a chair conformation and the 2-chloro-benzene and methyl substituents occupy equatorial sites. The carboxyl group is in an axial inclination. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(8) loops.

SUBMITTER: Jia GK

PROVIDER: S-EPMC3393306 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

Jia Guo-Kai GK Yuan Lin L Zhang Min M Yuan Xian-You XY

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, C(12)H(13)ClO(4), the 1,3-dioxane ring adopts a chair conformation and the 2-chloro-benzene and methyl substituents occupy equatorial sites. The carboxyl group is in an axial inclination. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops. ...[more]

PMID: 22807863

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