Abstract
Estra-4,9,11-trien-17β-ol-3-one, known as trenbolone is a synthetic anabolic-androgenic steroid which belongs to nandrolone group. The structural features of trenbolone base and three esterified forms of trenbolone have been described. The crystal structures of trenbolone acetate and trenbolone hexahydrobenzylcarbonate were determined by X-ray single crystal diffraction and they were shown to belong to the monoclinic P21 space group. The crystal structure of trenbolone enanthate was determined with Parallel tempering-Monte Carlo method and refined with Rietveld procedure and was shown to belong to the monoclinic P21 space group as well. The A, B, C steroid skeleton rings are adopting distorted envelope and intermediate sofa half chair configuration, while the D ring exists in a 13β distorted envelope configuration. The intermolecular interactions were evaluated in terms of lattice energy computation with CLP (Coulomb-London-Pauli) method and intermolecular interactions have been analyzed and described by Hirshfeld surface.
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