Information card for entry 2022634

Structure parameters

• 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: 9.5053 ± 0.0006 Å
• b: 9.6793 ± 0.0005 Å
• c: 21.838 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2009.2 ± 0.2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes