Information card for entry 2203321

Structure parameters

• Chemical name: (+)-1-[(2S)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]- 1H-imidazole mononitrate
• Formula: C18 H15 Cl4 N3 O4
• Calculated formula: C18 H15 Cl4 N3 O4
• Title of publication: (+)-1-{(2<i>S</i>)-2-(2,4-Dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1<i>H</i>-imidazole mononitrate [(+)-(<i>S</i>)-miconazole nitrate]
• Authors of publication: Oswald M. Peeters; Norbert M. Blaton; Christine Aeschlimann; Joseph Gal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o365 - o366
• a: 13.23 ± 0.01 Å
• b: 9.191 ± 0.007 Å
• c: 18.3 ± 0.02 Å
• α: 90°
• β: 110.63 ± 0.08°
• γ: 90°
• Cell volume: 2083 ± 3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No