organic compounds
The molecular structure of itraconazole, C35H38Cl2N8O4, has been determined from single-crystal X-ray diffraction data. The two molecules in the asymmetric unit mainly differ in the conformation of the methoxyphenylpiperazine moiety. Apart from a 180° rotation of the triazole ring, the geometry of the dichlorophenylethyloxytriazole moiety is almost the same as the dichlorophenylethyloxyimidazole geometry in miconazole, econazole and ketoconazole.
Supporting information
Crystallographic Information File (CIF) | |
Structure factor file (CIF format) |
CCDC reference: 127247