(E)-9-(4-Chlorostyryl)-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione

Authors
Lee, Jae KyunPae, Ae NimCho, Yong SeoCha, Joo Hwan
Issue Date
2012-02
Publisher
WILEY-BLACKWELL
Citation
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, v.68, pp.O501 - U1535
Abstract
In the title compound, C21H19ClO3, the two cyclohexenone rings adopt half-chair conformations, whereas the pyran ring adopts a boat conformation. The 4-chlorophenyl ring is almost perpendicular to the plane through the four C atoms of the pyran ring [dihedral angle = 87.97 (6)degrees]. In the crystal, weak C-H center dot center dot center dot O hydrogen bonds link the molecules into a chain parallel to the a-axis.
Keywords
data-to-parameter ratio = 13.1; mean σ(C-C) = 0.007 ?; R factor = 0.059; single-crystal X-ray study; T = 296 K; wR factor = 0.157
ISSN
1600-5368
URI
https://pubs.kist.re.kr/handle/201004/129573
DOI
10.1107/S1600536812002139
Appears in Collections:
KIST Article > 2012
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