Suitchmezian, Viktor Jess, Inke Näther, Christian Investigations on the Desolvation Reaction of Pseudopolymorphic Forms of Hydrocortisone The crystal structures of two pseudopolymorphic modifications of the glucocorticoid hydrocortisone were determined, in addition to the known structures of the 2-propanol (<b>1</b>), methanol (<b>2</b>) and pyridine (<b>3</b>) solvate reported recently. The chloroform solvate (<b>4</b>) and the <i>N</i>,<i>N</i>′-dimethylformamide solvate (<b>5</b>) crystallize in the monoclinic space group <i>P</i>2<sub>1</sub>, with <i>a</i> = 12.5947 (8) Å, <i>b</i> = 12.4413 (5) Å, <i>c</i> = 14.9884 (11) Å, β =90.571 (9)°, <i>V</i> = 2348.5(2) Å<sup>3</sup> for (<b>4</b>) and <i>a</i> = 13.4186 (10) Å, <i>b</i> = 6.0878 (3) Å, <i>c</i> = 14.6595 (11) Å, β = 104.711 (10)°, <i>V</i> = 1158.27(14) Å<sup>3</sup> for <b>5</b>. The crystal structures of <b>1</b>, <b>3</b>, and <b>5</b> are isotypic and are very similar to that of the thermodynamically metastable solvent free modification <b>III</b> of hydrocortisone. The removal of solvents from the pseudopolymorphic forms at elevated temperatures results in the formation of the thermodynamically most stable form <b>I</b> or the metastable form <b>II</b> of hydrocortisone. For the methanol solvate, the desolvation reaction indicates the formation of a new modification of this drug. In contrast, the removal of the solvent from the <i>N</i>,<i>N</i>′-dimethylformamide solvate (<b>5</b>) at room-temperature leads to the formation of the metastable form <b>III</b> of hydrocortisone. These results indicate a smooth reaction pathway for the desolvation reactions of the solvates into the solvent free modifications of hydrocortisone. desolvation reaction;temperatures results;glucocorticoid hydrocortisone;formation;Pseudopolymorphic Forms;metastable form III;methanol solvate;Desolvation Reaction;desolvation reactions;Å3;metastable form II;HydrocortisoneThe crystal structures;pseudopolymorphic forms;crystal structures;modification III;pseudopolymorphic modifications;reaction pathway 2009-02-04
    https://acs.figshare.com/articles/journal_contribution/Investigations_on_the_Desolvation_Reaction_of_Pseudopolymorphic_Forms_of_Hydrocortisone/2881009
10.1021/cg8002838.s001