Information card for entry 2228649

Structure parameters

• Chemical name: 2-Amino-4-(2,4-dichlorophenyl)-6-(naphthalen-1-yl)nicotinonitrile
• Formula: C22 H13 Cl2 N3
• Calculated formula: C22 H13 Cl2 N3
• SMILES: Clc1ccc(c(Cl)c1)c1cc(nc(N)c1C#N)c1cccc2ccccc12
• Title of publication: 2-Amino-4-(2,4-dichlorophenyl)-6-(naphthalen-1-yl)nicotinonitrile
• Authors of publication: Ye, Yuan-Feng; Wang, Huai-Qing; Feng, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o71
• a: 9.502 ± 0.0019 Å
• b: 10.054 ± 0.002 Å
• c: 10.735 ± 0.002 Å
• α: 72.78 ± 0.03°
• β: 89.17 ± 0.03°
• γ: 74.81 ± 0.03°
• Cell volume: 943.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes