Information card for entry 2241436

Structure parameters

• Common name: C~19~H~13~Cl~F~2~N~2~O~2
• Chemical name: <i>N</i>-{4-[(6-Chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide
• Formula: C19 H13 Cl F2 N2 O2
• Calculated formula: C19 H13 Cl F2 N2 O2
• SMILES: c1(c(cccc1F)F)C(=O)Nc1ccc(cc1)OCc1ccc(Cl)nc1
• Title of publication: Crystal structure of <i>N</i>-{4-[(6-chloropyridin-3-yl)methoxy]phenyl}-2,6-difluorobenzamide
• Authors of publication: Liang, Ying; Shi, Li-Qiao; Yang, Zi-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 60 - 62
• a: 8.8173 ± 0.0011 Å
• b: 10.7036 ± 0.0013 Å
• c: 10.8452 ± 0.0014 Å
• α: 61.939 ± 0.002°
• β: 77.597 ± 0.002°
• γ: 69.636 ± 0.002°
• Cell volume: 845.15 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes