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Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions
Published on: July 17, 2020
A P212121 polymorph of (+)-clusianone
Sree Vaneesa Nagalingam1, Janet Wong Pik Ching1, Mohammed Khaled Bin Break2
1Center for Natural and Medicinal Product Research, School of Pharmacy, Faculty of Science, University of Nottingham Malaysia Campus, Jalan Broga, 43500 Semenyih, Selangor, Malaysia.
This study details the crystal structure of a complex organic molecule, C33H42O4, revealing its ortho-rhom-bic space group P212121. This finding refines previous structural reports for this unique bicyclo-[3.3.1]nonane derivative.
Area of Science:
- Organic Chemistry
- Crystallography
- Chemical Physics
Background:
- The compound C33H42O4 features a bicyclo-[3.3.1]nonane-2,4,9-trione core.
- It is characterized by tetra-prenyl-ated and benzoyl substituents.
Purpose of the Study:
- To determine the precise crystal structure of C33H42O4.
- To clarify the crystallographic space group and compare it with previous reports.
Main Methods:
- Recrystallization of the compound from methanol using slow evaporation and crystal-seeding techniques.
- X-ray diffraction analysis to determine the crystal structure and space group.
Main Results:
- Diffraction-quality crystals were obtained, crystallizing in the ortho-rhom-bic space group P212121.
- This contrasts with a prior report indicating the Pna21 space group.
- The compound exhibits a melting point of 365-366 K and a specific rotation of +51.94°.
- An intramolecular O-H⋯O hydrogen bond and weak C-H⋯O interactions were observed in the crystal structure.
Conclusions:
- The precise crystal structure and space group (P212121) of C33H42O4 have been established.
- This work provides a more accurate structural determination compared to previous studies.
- The observed hydrogen bonding and intermolecular interactions offer insights into the compound's solid-state behavior.
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