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(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-deca-hydro-phenanthrene-1,4-dione.

ABSTRACT: In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577?(3) and 0.648?(3)?Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156?Å) for the B and C rings, respectively. Mol-ecules are assembled in the crystal through C-H?O inter-actions involving both carbonyl O atoms, which lead to supra-molecular chains aligned along the b axis.

SUBMITTER: Caracelli I 

PROVIDER: S-EPMC3238859 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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(4aS,4bR,7R,10aS)-3,7-Dimethyl-10a-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-deca-hydro-phenanthrene-1,4-dione.

Caracelli Ignez I   Zukerman-Schpector Julio J   Machado André T Lousada AT   Brocksom Timothy J TJ   Ferreira M Lúcia ML   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(19)H(26)O(2), the A ring adopts a chair conformation, whereas the B and C rings both adopt distorted half-chair conformations with the quaternary C atom common to both rings lying 0.577 (3) and 0.648 (3) Å out of the approximate plane defined by the remaining five C atoms (r.m.s. deviations = 0.1386 and 0.1156 Å) for the B and C rings, respectively. Mol-ecules are assembled in the crystal through C-H⋯O inter-actions involving both carbonyl O atoms, which lead to supra-mo  ...[more]

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