Redetermination of germacrone type II based on single-crystal X-ray data.

Autor: Meurer F; Faculty of Chemistry and Pharmacy, University of Regensburg, Universitaetsstrasse 31, 93053 Regensburg, Germany., Bodensteiner M; Faculty of Chemistry and Pharmacy, University of Regensburg, Universitaetsstrasse 31, 93053 Regensburg, Germany., Kolev I; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Medical University 'Prof. Dr. Paraskev Stoyanov' - Varna, 84 'Tzar Osvoboditel' Blvd, 9000 Varna, Bulgaria.
Jazyk: angličtina
Zdroj: IUCrData [IUCrdata] 2024 Apr 26; Vol. 9 (Pt 4), pp. x240346. Date of Electronic Publication: 2024 Apr 26 (Print Publication: 2024).
DOI: 10.1107/S2414314624003468
Abstrakt: The extraction and purification procedures, crystallization and crystal structure refinement (single-crystal X-ray data) of germacrone type II, C 15 H 22 O, are presented. The structural results are compared with a previous powder X-ray synchrotron study [Kaduk et al. (2022 ▸). Powder Diffr. 37 , 98-104], revealing significant improvements in terms of accuracy and precision. Hirshfeld atom refinement (HAR), as well as Hirshfeld surface analysis, give insight into the inter-molecular inter-actions of germacrone type II.
(© Meurer et al. 2024.)
Databáze: MEDLINE
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