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4a-Hy-droxy-9-(2-meth-oxy-phen-yl)-4,4a,5,6,7,8,9,9a-octa-hydro-3H-xanthene-1,8(2H)-dione.

Loh WS, Fun HK, Reddy BP, Vijayakumar V, Sarveswari S - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation.The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth-oxy-phenyl group.In the crystal, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link mol-ecules into chains along the a axis, which are further stabilized by C-H⋯π inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra-molecular C-H⋯O hydrogen bond, which contributes to the stabilization of the mol-ecule. In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth-oxy-phenyl group. In the crystal, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link mol-ecules into chains along the a axis, which are further stabilized by C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus

The crystal packing of the title compound, viewed along the c axis, showing a chain along the a axis. H atoms not involved in the intermolecular interactions (dashed lines) have been omitted for clarity.
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Fap2: The crystal packing of the title compound, viewed along the c axis, showing a chain along the a axis. H atoms not involved in the intermolecular interactions (dashed lines) have been omitted for clarity.


4a-Hy-droxy-9-(2-meth-oxy-phen-yl)-4,4a,5,6,7,8,9,9a-octa-hydro-3H-xanthene-1,8(2H)-dione.

Loh WS, Fun HK, Reddy BP, Vijayakumar V, Sarveswari S - Acta Crystallogr Sect E Struct Rep Online (2010)

The crystal packing of the title compound, viewed along the c axis, showing a chain along the a axis. H atoms not involved in the intermolecular interactions (dashed lines) have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050262&req=5

Fap2: The crystal packing of the title compound, viewed along the c axis, showing a chain along the a axis. H atoms not involved in the intermolecular interactions (dashed lines) have been omitted for clarity.
Bottom Line: In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation.The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth-oxy-phenyl group.In the crystal, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link mol-ecules into chains along the a axis, which are further stabilized by C-H⋯π inter-actions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra-molecular C-H⋯O hydrogen bond, which contributes to the stabilization of the mol-ecule. In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth-oxy-phenyl group. In the crystal, inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds link mol-ecules into chains along the a axis, which are further stabilized by C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus