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3-Iodo-8?,9?,14?-estra-1,3,5(10)-trien-17-one.

ABSTRACT: In the title compound, C(18)H(21)IO, the cyclo-hexane ring adopts a chair conformation, whereas the cyclo-pentane ring and the ten-membered tetra-line portions each adopt an envelope conformation. For the five-membered ring, the methine C atom deviates by 0.638?(4)?Å (r.m.s. of the four other atoms is 0.005?Å) and for the ten-membered ring, the methine C atom constituting the flap deviates by 0.671?(3)?Å (r.m.s. of the other nine atoms is 0.066?Å).

SUBMITTER: Ketuly KA

PROVIDER: S-EPMC2969661 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one.

Ketuly Kamal Aziz KA A Hadi A Hamid AH Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the title compound, C(18)H(21)IO, the cyclo-hexane ring adopts a chair conformation, whereas the cyclo-pentane ring and the ten-membered tetra-line portions each adopt an envelope conformation. For the five-membered ring, the methine C atom deviates by 0.638 (4) Å (r.m.s. of the four other atoms is 0.005 Å) and for the ten-membered ring, the methine C atom constituting the flap deviates by 0.671 (3) Å (r.m.s. of the other nine atoms is 0.066 Å). ...[more]

PMID: 21583067

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