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(E)-9-(4-Fluoro-styr-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

ABSTRACT: In the title compound, C25H27FO3, each of the cyclo-hexenone rings adopts a half-chair conformation, whereas the six-membered pyran ring adopts a flattened boat conformation, with the O and methine C atoms deviating by 0.0769?(15) and 0.196?(2)?Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.004?Å). The C=C double bond adopts an E conformation. The dihedral angle between the benzene and pyran (all atoms) rings is 89.94?(10)°. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into chains running parallel to the b axis.

SUBMITTER: Lee JK 

PROVIDER: S-EPMC3685118 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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(E)-9-(4-Fluoro-styr-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.

Lee Jae Kyun JK   Min Sun-Joon SJ   Cho Yong Seo YS   Cha Joo Hwan JH   Won Sung Ok SO  

Acta crystallographica. Section E, Structure reports online 20130531 Pt 6

In the title compound, C25H27FO3, each of the cyclo-hexenone rings adopts a half-chair conformation, whereas the six-membered pyran ring adopts a flattened boat conformation, with the O and methine C atoms deviating by 0.0769 (15) and 0.196 (2) Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.004 Å). The C=C double bond adopts an E conformation. The dihedral angle between the benzene and pyran (all atoms) rings is 89.94 (10)°. In the crystal, weak C-H⋯O hydrogen bond  ...[more]

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