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(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

ABSTRACT: The title compound, C12H16Cl4, is a derivative of the natural product 1-isopropyl-4-methyl-cyclo-hexa-1,4-diene, and represents a diastereomer with two trans-fused cyclo-propane rings. Both enanti-omers are present in the non-centrosymmetric polar space group Pna21. The central cyclo-hexane ring is planar within 0.02?(1)?Å. The C atoms of di-chloro-methyl-ene groups deviate from this plane by 1.19?(1) and -1.26?(1)?Å, whereas the isopropyl and methyl groups are oriented more equatorially, deviating by 0.71?(1) and -0.87?(1)?Å, respectively.

SUBMITTER: Turdybekov KM

PROVIDER: S-EPMC3998570 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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(1S,3R,5S,7S)-4,4,8,8-Tetra-chloro-1-isopropyl-5-methyl-tri-cyclo-[5.1.0.0(3,5)]octa-ne.

Turdybekov Koblandy M KM Ryazantsev Oleg G OG Atazhanova Gayane A GA Adekenov Sergazy M SM

Acta crystallographica. Section E, Structure reports online 20140312 Pt 4

The title compound, C12H16Cl4, is a derivative of the natural product 1-isopropyl-4-methyl-cyclo-hexa-1,4-diene, and represents a diastereomer with two trans-fused cyclo-propane rings. Both enanti-omers are present in the non-centrosymmetric polar space group Pna21. The central cyclo-hexane ring is planar within 0.02 (1) Å. The C atoms of di-chloro-methyl-ene groups deviate from this plane by 1.19 (1) and -1.26 (1) Å, whereas the isopropyl and methyl groups are oriented more equatorially, deviat ...[more]

PMID: 24826130

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