Information card for entry 2022633

Structure parameters

• Common name: 2-Chloro-<i>N</i>-(<i>p</i>-tolyl)propanamide
• Chemical name: 2-Chloro-<i>N</i>-(4-methylphenyl)propanamide
• Formula: C10 H12 Cl N O
• Calculated formula: C10 H12 Cl N O
• Title of publication: Structure of 2-chloro-N-(p-tolyl)propanamide
• Authors of publication: Jones, Roderick C.; Twamley, Brendan
• Journal of publication: Acta Crystallographica, Section E: Crystallographic Communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1584 - 1588
• a: 9.5119 ± 0.0003 Å
• b: 9.6885 ± 0.0004 Å
• c: 21.8439 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2013.05 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes