Information card for entry 2200037

Structure parameters

• Formula: C20 H14 Cl3 N3
• Calculated formula: C20 H14 Cl3 N3
• SMILES: Clc1c(C(n2ccnc2)c2c[nH]cc2c2ccc(Cl)cc2)ccc(Cl)c1
• Title of publication: 1-{[4-(4-Chlorophenyl)-1<i>H</i>-pyrrol-3-yl](2,4-dichlorophenyl)methyl}-1<i>H</i>-imidazole (RDS 416)
• Authors of publication: Camalli, Mercedes; Pifferi, Augusto; Costi, Roberta; Di Santo, Roberto; Massa, Silvio; Artico, Marino
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o96 - o98
• a: 6.887 ± 0.001 Å
• b: 18.847 ± 0.003 Å
• c: 14.947 ± 0.003 Å
• α: 90°
• β: 105.08 ± 0.01°
• γ: 90°
• Cell volume: 1873.3 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections: 0.9
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No