Information card for entry 1545305

Structure parameters

• Chemical name: (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride
• Formula: C16 H8 Cl4 N2
• Calculated formula: C16 H8 Cl4 N2
• SMILES: Clc1c(C(=N\c2ccc(Cl)cc2)\Cl)cnc2c1cc(Cl)cc2
• Title of publication: (<i>Z</i>)-4,6-Dichloro-<i>N</i>-(4-chlorophenyl)quinoline-3-carbimidoyl chloride
• Authors of publication: Weil, Matthias; Siebert, David Chan Bodin; Schnürch, Michael
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170274
• a: 9.2595 ± 0.0014 Å
• b: 9.9204 ± 0.0015 Å
• c: 10.1731 ± 0.0015 Å
• α: 64.259 ± 0.004°
• β: 72.322 ± 0.005°
• γ: 64.093 ± 0.004°
• Cell volume: 749.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes