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17-Deoxoestrone [estra-1,3,5(10)-trien-3-ol]–methanol (3/1)

Three independent mol­ecules of the title estrone derivative and a mol­ecule of methanol comprise the asymmetric unit of the title compound [systematic name: 13-methyl-6,7,8,9,11,12,13,14,15,16-deca­hydro­cyclo­penta­[a]phenanthren-3-ol–meth­an­ol (3/1)], 3C(18)H(24)O·CH(3)OH. Two of the estrone mol...

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Detalles Bibliográficos
Autores principales: Ketuly, Kamal Aziz, Hadi, A. Hamid A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089339/
https://www.ncbi.nlm.nih.gov/pubmed/21754468
http://dx.doi.org/10.1107/S1600536811013651
Descripción
Sumario:Three independent mol­ecules of the title estrone derivative and a mol­ecule of methanol comprise the asymmetric unit of the title compound [systematic name: 13-methyl-6,7,8,9,11,12,13,14,15,16-deca­hydro­cyclo­penta­[a]phenanthren-3-ol–meth­an­ol (3/1)], 3C(18)H(24)O·CH(3)OH. Two of the estrone mol­ecules exhibit 50:50 disorder (one displays whole-mol­ecule disorder and the other partial disorder in the fused five- and six-membered rings) so that five (partial) mol­ecular conformations are discernable. The conformation of the six-membered ring abutting the aromatic ring is close to a half-chair in all five components. The conformation of the six-membered ring fused to the five-membered ring is based on a chair with varying degrees of distortion ranging from minor to significant. Two distinct conformations are found for the five-membered ring: in four mol­ecules, the five-membered ring is twisted about the bond linking it to the six-membered ring, and in the other, the five-membered ring is an envelope with the quaternary C atom being the flap atom. The crystal packing features O—H⋯O hydrogen bonding whereby the four mol­ecules comprising the asymmetric unit are linked into a supra­molecular chain along the b axis.