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Crystal structure of hydro-cortisone 17-butyrate.

Zhu Y, Shen W, Wang HL - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6).Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed.In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into chains running parallel to the a axis.

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Affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, People's Republic of China.

ABSTRACT
In the title compound, C25H36O6, the two central cyclo-hexane rings exhibit a chair conformation. The terminal cyclo-hexene and cyclo-pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit-uent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into chains running parallel to the a axis.

No MeSH data available.


The molecular structure of the title compound showing 30% probability displacement ellipsoids. Only the major component of the disordered C25 methyl group is shown
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Fap1: The molecular structure of the title compound showing 30% probability displacement ellipsoids. Only the major component of the disordered C25 methyl group is shown


Crystal structure of hydro-cortisone 17-butyrate.

Zhu Y, Shen W, Wang HL - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title compound showing 30% probability displacement ellipsoids. Only the major component of the disordered C25 methyl group is shown
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257404&req=5

Fap1: The molecular structure of the title compound showing 30% probability displacement ellipsoids. Only the major component of the disordered C25 methyl group is shown
Bottom Line: The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6).Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed.In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into chains running parallel to the a axis.

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, Zhengzhou 450001, People's Republic of China.

ABSTRACT
In the title compound, C25H36O6, the two central cyclo-hexane rings exhibit a chair conformation. The terminal cyclo-hexene and cyclo-pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit-uent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into chains running parallel to the a axis.

No MeSH data available.