Information card for entry 2229059

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one
• Formula: C16 H16 Cl N O2
• Calculated formula: C16 H16 Cl N O2
• SMILES: Clc1ccc(C(=O)CCNc2c(OC)cccc2)cc1
• Title of publication: 1-(4-Chlorophenyl)-3-(2-methoxyanilino)propan-1-one
• Authors of publication: Llovera, Ligia; Anzenbacher, Jr, Pavel; López, Simón E.; González, Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o315
• a: 7.169 ± 0.0006 Å
• b: 14.4303 ± 0.0011 Å
• c: 28.667 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2965.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes