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2-Isopropyl-5-methyl-cyclo-hexyl 5-acet-oxy-1,3-oxathiol-ane-2-carboxyl-ate.


ABSTRACT: In the title compound, C(16)H(26)O(5)S, the oxathiol-ane ring adopts an envelope conformation, with the S atom 0.793?(3)?Å out of the mean plane of the remaining four atoms. The cyclo-hexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C-H?O hydrogen bonds link the mol-ecules into the chains along [100] direction. The chains are packed into the crystal structure by means of weak dispersive inter-actions. Inter-molecular C-H?S inter-actions are also observed.

SUBMITTER: Dutkiewicz G 

PROVIDER: S-EPMC2971831 | biostudies-other | 2009 Nov

REPOSITORIES: biostudies-other

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2-Isopropyl-5-methyl-cyclo-hexyl 5-acet-oxy-1,3-oxathiol-ane-2-carboxyl-ate.

Dutkiewicz Grzegorz G   Chidan Kumar C S CS   Yathirajan H S HS   Mayekar A N AN   Kubicki Maciej M  

Acta crystallographica. Section E, Structure reports online 20091121 Pt 12


In the title compound, C(16)H(26)O(5)S, the oxathiol-ane ring adopts an envelope conformation, with the S atom 0.793 (3) Å out of the mean plane of the remaining four atoms. The cyclo-hexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C-H⋯O hydrogen bonds link the mol-ecules into the chains along [100] direction. The chains are packed into the crystal structure by me  ...[more]

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