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Methyl rac-(2R,11S,12R)-12-(2-chloro-phen-yl)-22-oxo-9,13,21-trioxapenta-cyclo-[12.8.0.0.0.0]docosa-1(14),3,5,7,15(20),16,18-hepta-ene-11-carboxyl-ate.

ABSTRACT: In the title compound C(27)H(19)ClO(6), the coumarin ring system is not exactly planar, with a dihedral angle of 4.12?(7)° between its benzene and lactone rings. The cis-fused pyran rings adopt half-chair conformations. The carbometh-oxy and chloro-phenyl groups are in a trans configuration. The crystal packing is stabilized by inter-molecular C-H?O interactions, which produce a centrosymmetric R(2) (2)(14) dimer and two centrosymmetric R(2) (2)(18) dimers connecting the mol-ecules in a two-dimensional fashion.

SUBMITTER: Swaminathan K

PROVIDER: S-EPMC3201225 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Methyl rac-(2R,11S,12R)-12-(2-chloro-phen-yl)-22-oxo-9,13,21-trioxapenta-cyclo-[12.8.0.0.0.0]docosa-1(14),3,5,7,15(20),16,18-hepta-ene-11-carboxyl-ate.

Swaminathan K K Sethusankar K K Sivakumar G G Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

In the title compound C(27)H(19)ClO(6), the coumarin ring system is not exactly planar, with a dihedral angle of 4.12 (7)° between its benzene and lactone rings. The cis-fused pyran rings adopt half-chair conformations. The carbometh-oxy and chloro-phenyl groups are in a trans configuration. The crystal packing is stabilized by inter-molecular C-H⋯O interactions, which produce a centrosymmetric R(2) (2)(14) dimer and two centrosymmetric R(2) (2)(18) dimers connecting the mol-ecules in a two-dime ...[more]

PMID: 22065629

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