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The Solid State Forms of the Sex Hormone 17-β-Estradiol

Abstract

The crystal structure of the single component form of the primary female sex hormone, 17-β-estradiol (BES), is reported, solved from single crystals obtained by sublimation. The Z’=2 P212121 structure was computationally predicted as one of the thermodynamically plausible structures. It appears that the dehydration process for the very stable hemihydrate structure is a complex process, strongly affected by particle size and conditions. An experimental polymorph screen has produced six solid forms of BES, including novel acetonitrile and highly labile ethylene dichloride solvates, and reproduced previously reported methanol and propanol solvates. These have been characterized, as far as possible given the metastability relative to the hemihydrate (BES·0.5H2O), by single-crystal X-ray diffraction (SCXRD), powder X-ray diffraction (PXRD), differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), hot-stage microscopy and Fourier Transform Infrared Spectroscopy (FTIR), sorting out some of the confusion in the earlier literature.

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Publication details

The article was received on 01 Nov 2018, accepted on 07 Dec 2018 and first published on 07 Dec 2018


Article type: Paper
DOI: 10.1039/C8CE01874J
Citation: CrystEngComm, 2018, Accepted Manuscript
  • Open access: Creative Commons BY license
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    The Solid State Forms of the Sex Hormone 17-β-Estradiol

    E. L. Stevenson, R. W. Lancaster, A. Buanz, L. Price, D. A. Tocher and S. L. Price, CrystEngComm, 2018, Accepted Manuscript , DOI: 10.1039/C8CE01874J

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