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Racemic 4-(4-tert-butyl-phen-yl)-2,6-dimethyl-cyclo-hex-3-enecarboxylic acid.

ABSTRACT: The chirality of the title compound, C(19)H(26)O(2), is solely generated by the presence of the double bond in the cyclo-hexene ring. This compound was synthesized to study the inter-action of the two enanti-omers in the solid state. The resultant racemate is made up of carboxylic acid RS dimers. Inter-molecular O-H?O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers through their carboxyl groups.

SUBMITTER: Xie S

PROVIDER: S-EPMC2960795 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(3-Methoxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-enecarboxylic acid.

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Project description:The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexyl)acetic acid mol-ecules, which are present as zwitterions, and one water mol-ecule in the asymmetric unit. The mol-ecular structure of each zwitterion is stabilized by an intra-molecular six-membered (C 6 ) N-H⋯O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N-H⋯O hydrogen bonds. Further O-H⋯O and N-H⋯O hydrogen bonds link the zwitterions and the water molecules, forming sandwich-like layers, with a hydrophilic filling and a hydrophobic exterior, lying parallel to the ab plane.

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