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Rotenone alpha-oxime.

Shi-Ping Yang¹, Xi-Bin Yu, Ji-Guang Huang

¹School of Chemistry, Shanghai Teacher's University, Shanghai 200234, People's Republic of China. shipingy@shtu.edu.cn

Acta Crystallographica. Section C, Crystal Structure Communications

|July 12, 2003

Summary

The structure of rotenone alpha-oxime was determined, revealing a V-shaped molecular geometry. This research clarifies the specific ring conformations within this complex organic molecule.

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Area of Science:

Organic Chemistry
Structural Biology
Crystallography

Background:

Rotenone is a naturally occurring compound with known biological activities.
Understanding the precise three-dimensional structure of rotenone derivatives is crucial for structure-activity relationship studies.

Purpose of the Study:

To determine the precise molecular structure of rotenone alpha-oxime.
To elucidate the conformational properties of the determined structure.

Main Methods:

Single-crystal X-ray diffraction was employed for structure determination.
Analysis of bond lengths, angles, and torsion angles provided conformational insights.

Main Results:

The crystal structure of rotenone alpha-oxime (C(23)H(23)NO(6)) was successfully determined.

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The molecule exhibits an overall V-shaped conformation.

One ring displays a cyclohexene-like monoplanar conformation, while the central ring adopts a 1,2-diplanar conformation.

Conclusions:

The V-shaped structure and specific ring conformations of rotenone alpha-oxime have been confirmed.
These findings provide a detailed structural basis for understanding its chemical properties and potential biological interactions.