Information card for entry 2312406

Structure parameters

• Chemical name: (<i>RS</i>)-1-[2-(2,4-Dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]-1<i>H</i>-imidazole
• Formula: C18 H14 Cl4 N2 O
• Calculated formula: C18 H14 Cl4 N2 O
• Title of publication: A triclinic polymorph of miconazole.
• Authors of publication: Kaspiaruk, Hanna; Chęcińska, Lilianna
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 196 - 200
• a: 8.8691 ± 0.0008 Å
• b: 9.4161 ± 0.0009 Å
• c: 13.0347 ± 0.0011 Å
• α: 75.502 ± 0.008°
• β: 85.013 ± 0.008°
• γ: 62.478 ± 0.01°
• Cell volume: 934.1 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No