Crystal growth, structure and morphology of hydrocortisone methanol solvate
2004; Elsevier BV; Volume: 265; Issue: 1-2 Linguagem: Inglês
10.1016/j.jcrysgro.2004.01.055
ISSN1873-5002
AutoresJianxin Chen, Jiangkang Wang, Ying Zhang, Hong Wu, Wei Chen, Zhichao Guo,
Tópico(s)Calcium Carbonate Crystallization and Inhibition
ResumoHydrocortisone (HC), an important grucocorticoid, was crystallized from methanol solvent in the form of its methanol solvate. Its crystal structure belongs to orthorhombic, space group P212121, with the unit cell parameters a=7.712(3) Å, b=14.392(5) Å, c=18.408(6) Å, Z=4. The methanol takes part in intermolecular hydrogen bonding, so if we change the solvent, the crystal habit of HC maybe different. The long parallelepiped morphology was also predicted by Cerius2TM simulation program. The influence of intermolecular interaction was taken into account in the attachment energy model. The morphology calculation performed on the potential energy minimized model using a generic DREIDING 2.21 force field and developed minimization protocol with derived partial charges fits the experimental crystal shape well.
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