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Open AccessFeature PaperArticle

Exploring the Polymorphism of Drostanolone Propionate

1
National Institute For R&D of Isotopic and Molecular Technologies, 67-103 Donat, Cluj-Napoca 400293, Romania
2
Faculty of Physics, Babeş-Bolyai University, 1 Mihail Kogălniceanu, Cluj-Napoca 400084, Romania
*
Authors to whom correspondence should be addressed.
Academic Editor: Dubravka Matković-Čalogović
Molecules 2020, 25(6), 1436; https://doi.org/10.3390/molecules25061436 (registering DOI)
Received: 30 January 2020 / Revised: 13 March 2020 / Accepted: 18 March 2020 / Published: 21 March 2020
(This article belongs to the Special Issue Non-Covalent Interaction in Solids and Large Clusters)
2α-Methyl-4,5α-dihydrotestosterone 17β-propionate, known as drostanolone propionate or masteron, is a synthetic anabolic-androgenic steroid derived from dihydrotestosterone. The crystal structures of two polymorphs of drostanolone propionate have been determined by single crystal X-ray diffraction and both crystallizes in the monoclinic crystal system. One is belonging to the P21 space group, Z = 2, and has one molecule in the asymmetric unit while the second belongs to the I2 space group, Z = 4, and contains two molecules in the asymmetric unit. Another polymorph has been investigated by an X-ray powder diffraction method and solved by Parallel tempering/Monte Carlo technique and refined with the Rietveld method. This polymorph crystallizes in the orthorhombic P212121 space group, Z = 4 having one molecule in the asymmetric unit. The structural configuration analysis shows that the A, B, and C steroid rings exist as chair geometry, while ring D adopts a C13 distorted envelope configuration in all structures. For all polymorphs, the lattice energy has been computed by CLP (Coulomb-London-Pauli), and tight-binding density functional theory methods. Local electron correlation methods were used to estimate the role of electron correlation in the magnitude of the dimer energies. The nature of the intermolecular interactions has been analyzed by the SAPT0 energy decomposition methods as well as by Hirshfeld surfaces. View Full-Text
Keywords: drostanolone propionate; steroids; crystal structure; X-ray diffraction; Hirshfeld analysis; lattice energy drostanolone propionate; steroids; crystal structure; X-ray diffraction; Hirshfeld analysis; lattice energy
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Borodi, G.; Turza, A.; Bende, A. Exploring the Polymorphism of Drostanolone Propionate. Molecules 2020, 25, 1436.

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