Information card for entry 2212586

Structure parameters

• Chemical name: Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• Formula: C15 H13 Cl2 N O2
• Calculated formula: C15 H13 Cl2 N O2
• SMILES: Clc1c(Nc2c(CC(=O)OC)cccc2)c(Cl)ccc1
• Title of publication: Methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
• Authors of publication: Nawaz, Hamid; Khawar Rauf, M.; Fuma, Yasuhiro; Ebihara, Masahiro; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1228 - o1229
• a: 8.542 ± 0.006 Å
• b: 9.376 ± 0.007 Å
• c: 10.503 ± 0.008 Å
• α: 113.452 ± 0.005°
• β: 103.329 ± 0.004°
• γ: 104.124 ± 0.005°
• Cell volume: 695.8 ± 0.9 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes