Information card for entry 2023341

Structure parameters

• Common name: Luliconazole
• Chemical name: (<i>E</i>)-[(4<i>R</i>)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene](1<i>H</i>-imidazol-1-yl)acetonitrile
• Formula: C14 H9 Cl2 N3 S2
• Calculated formula: C14 H9 Cl2 N3 S2
• Title of publication: Crystal structure of luliconazole
• Authors of publication: Ben, Anna; Chęcińska, Lilianna
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• Pages of publication: 24 - 28
• a: 9.0136 ± 0.0001 Å
• b: 8.1561 ± 0.0001 Å
• c: 10.8718 ± 0.0001 Å
• α: 90°
• β: 95.778 ± 0.001°
• γ: 90°
• Cell volume: 795.189 ± 0.015 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0256
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No