화학공학소재연구정보센터
Journal of Crystal Growth, Vol.265, No.1-2, 266-273, 2004
Crystal growth, structure and morphology of hydrocortisone methanol solvate
Hydrocortisone (HC), an important grucocorticoid, was crystallized from methanol solvent in the form of its methanol solvate. Its crystal Structure belongs to orthorhombic. space group P2(1)2(1)2(1), with the unit cell parameters a = 7.712(3) Angstrom, b = 14.3922(5) Angstrom, c = 18.408(6) Angstrom, Z = 4. The methanol takes part in intermolecular hydrogen bonding, so if we change the solvent. the crystal habit or HC maybe different. The long parallelepiped morphology was also predicted by Cerius(2)(TM) 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. (C) 2004 Elsevier B.V. All rights reserved.