Unknown

Dataset Information

0

(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

Json Xml
altmetric image

Publications

(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]

Similar Datasets

Unknown (E)-3,3,6,6-Tetra-methyl-9-(2-nitro-styr-yl)-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione.
| S-EPMC3379499 | biostudies-literature
Unknown 9-(2,4-Di-fluoro-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.
| S-EPMC3998450 | biostudies-literature
Unknown (E)-9-(4-Chloro-styr-yl)-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.
| S-EPMC3275246 | biostudies-literature
Unknown 9-(2,4-Dinitro-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione.
| S-EPMC3569808 | biostudies-literature
Unknown 9-(4-Hy-droxy-3,5-dimeth-oxy-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6,7,9-hexa-hydro-1H-xanthene-1,8(2H)-dione.
| S-EPMC3344018 | biostudies-literature
Unknown 9-[(E)-2-(2-Meth-oxy-phen-yl)ethen-yl]-3,4,5,6,7,9-hexa-hydro-2H-xanthene-1,8-dione.
| S-EPMC3275209 | biostudies-literature
Unknown 3,3,6,6-Tetra-methyl-9-phenyl-3,4,5,6-tetra-hydro-9H-xanthene-1,8(2H,7H)-dione.
| S-EPMC2969019 | biostudies-literature
Unknown 9-(2,3-Dichloro-phen-yl)-4a-hydr-oxy-3,3,6,6-tetra-methyl-4,4a,5,6,9,9a-hexa-hydro-3H-xanthene-1,8(2H,7H)-dione.
| S-EPMC2960184 | biostudies-literature
Unknown 3,3,6,6-Tetra-methyl-9-(2-nitro-phen-yl)-3,4,6,7-tetra-hydro-2H-xanthene-1,8(5H,9H)-dione.
| S-EPMC3007304 | biostudies-literature
Unknown 9-(2,4-Dichloro-phen-yl)-3,3,6,6-tetra-methyl-3,4,5,6-tetra-hydro-9H-xanthene-1,8(2H,7H)-dione.
| S-EPMC3011743 | biostudies-literature