%0 Journal Article %1 WOS:000344516800046 %A Ellena, Javier %A de Paula, Karina %A de Melo, Cristiane C %A da Silva, Cecilia C P %A Bezerra, Beatriz P %A Venancio, Tiago %A Ayala, Alejandro P %C 1155 16TH ST, NW, WASHINGTON, DC 20036 USA %D 2014 %I AMER CHEMICAL SOC %J CRYSTAL GROWTH & DESIGN %K imported %N 11 %P 5700-5709 %R 10.1021/cg500974r %T Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17 beta Valerate %V 14 %X The hormone estradiol 17 beta valerate (E2V), used in hormone replacement therapy, undergoes a structural phase transition at 251.1 K on cooling. The crystalline structure of the low and room temperature phases were determined showing that neither the space group nor the site symmetry and number of atoms are altered. These phases are related by a large conformational reorientation of the valerate chain. In addition, thermal analysis, solid state nuclear magnetic resonance, and infrared spectroscopy show that the transformation is reversible, discontinuous, and first order, evidencing the occurence of an isosymmetric phase transition, rare for organic compounds.

@article{WOS:000344516800046, abstract = {The hormone estradiol 17 beta valerate (E2V), used in hormone replacement therapy, undergoes a structural phase transition at 251.1 K on cooling. The crystalline structure of the low and room temperature phases were determined showing that neither the space group nor the site symmetry and number of atoms are altered. These phases are related by a large conformational reorientation of the valerate chain. In addition, thermal analysis, solid state nuclear magnetic resonance, and infrared spectroscopy show that the transformation is reversible, discontinuous, and first order, evidencing the occurence of an isosymmetric phase transition, rare for organic compounds.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, author = {Ellena, Javier and de Paula, Karina and de Melo, Cristiane C and da Silva, Cecilia C P and Bezerra, Beatriz P and Venancio, Tiago and Ayala, Alejandro P}, biburl = {https://www.bibsonomy.org/bibtex/212d4eff27860c1d890a62312c4d3f179/ppgfis_ufc_br}, doi = {10.1021/cg500974r}, interhash = {b2a816ebf6b2f34ba13f5c21d1668892}, intrahash = {12d4eff27860c1d890a62312c4d3f179}, issn = {1528-7483}, journal = {CRYSTAL GROWTH & DESIGN}, keywords = {imported}, number = 11, pages = {5700-5709}, publisher = {AMER CHEMICAL SOC}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Temperature-Driven Isosymmetric Reversible Phase Transition of the Hormone Estradiol 17 beta Valerate}, tppubtype = {article}, volume = 14, year = 2014 }