Information card for entry 2217029

Structure parameters

• Chemical name: Isopropyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• Formula: C17 H17 Cl2 N O2
• Calculated formula: C17 H17 Cl2 N O2
• SMILES: N(c1c(cccc1Cl)Cl)c1ccccc1CC(=O)OC(C)C
• Title of publication: Isopropyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• Authors of publication: Nawaz, Hamid; Khawar Rauf, M.; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o334 - o334
• a: 17.548 ± 0.006 Å
• b: 9.443 ± 0.003 Å
• c: 9.719 ± 0.003 Å
• α: 90°
• β: 93.959 ± 0.004°
• γ: 90°
• Cell volume: 1606.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes