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9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one.

ABSTRACT: In the xanthene ring system in the title compound, C19H18O4, the 4H-pyran ring has a maximum deviation of 0.110?(2)?Å from planarity and the cyclo-hexene ring exhibits a puckered conformation [puckering parameters Q T = 0.452?(3)?Å, ? = 57.0?(4) and ? = 131.7?(4)°]. The cyclo-hexene ring attached to the xanthene system adopts an envelope conformation, with the middle of the three methylene C atoms as the flap atom. In the crystal, O-H?O and C-H?O hydrogen bonds form infinite chains of R 1 (2)(6) ring motifs along [100] with the xanthene groups arranged in an alternating zigzag manner.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3629652 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one.

Mohamed Shaaban K SK Akkurt Mehmet M Abdelhamid Antar A AA Saeed Aamer A Flörke Ulrich U

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

In the xanthene ring system in the title compound, C19H18O4, the 4H-pyran ring has a maximum deviation of 0.110 (2) Å from planarity and the cyclo-hexene ring exhibits a puckered conformation [puckering parameters Q T = 0.452 (3) Å, θ = 57.0 (4) and ϕ = 131.7 (4)°]. The cyclo-hexene ring attached to the xanthene system adopts an envelope conformation, with the middle of the three methylene C atoms as the flap atom. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds form infinite chains of R 1 (2)(6) ...[more]

PMID: 23634139

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