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. 2020 Jul 21;5(Pt 7):x200945.
doi: 10.1107/S2414314620009451. eCollection 2020 Jul.

Ethyl 10α-hy-droxy-4,9-dimethyl-14-oxo-3,8,15-trioxa-tetra-cyclo-[10.3.0.02,4.07,9]penta-decane-13-spiro-5'-pyrazole-3'-carboxyl-ate

Affiliations

Ethyl 10α-hy-droxy-4,9-dimethyl-14-oxo-3,8,15-trioxa-tetra-cyclo-[10.3.0.02,4.07,9]penta-decane-13-spiro-5'-pyrazole-3'-carboxyl-ate

Fatima Outahar et al. IUCrdata. .

Abstract

The ten-membered ring in the title mol-ecule, C25H29ClN2O7, adopts an approximate chair-chair conformation, whereas the five-membered furan and pyrazole rings display envelope conformations. The mean plane of the furan ring is almost perpendicular to that of the pyrazole ring, as indicated by the dihedral angle between them of 86.45 (9)°. The pyrazole ring is slightly inclined to the plane of the attached phenyl ring, subtending a dihedral angle of 16.88 (8)°. The conformation of the mol-ecule is stabilized by six intra-molecular hydrogen bonds and crystal cohesion is ensured by five C-H⋯O hydrogen bonds, in addition to C-H⋯π inter-actions.

Keywords: crystal structure; furan; hydrogen bonding; pyrazole.

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Figures

Figure 1
Figure 1
The title mol­ecule with the atom-labelling scheme showing the intra­molecular hydrogen bonds (dashed bonds). Displacement ellipsoids are drawn at the 50% probability level.
Figure 2
Figure 2
A projection showing the mol­ecules connected by hydrogen bonds (dashed cyan lines) and a C—H⋯π inter­action (dashed green line).
Figure 3
Figure 3
Crystal packing of the title compound showing the mol­ecules stacked approximately along the b axis.

References

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