Information card for entry 8106581

Structure parameters

• Formula: C10 H10 Cl N O3
• Calculated formula: C10 H10 Cl N O3
• Title of publication: Crystal structure of methyl 2-acetamido-5-chlorbenzoate, C10H10ClNO3
• Authors of publication: Zhao, Chun-Shen; Wu, Ming-Yuan; Li, Fei; Liu, Li; Le, Yi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 493 - 494
• a: 16.124 ± 0.005 Å
• b: 19.588 ± 0.005 Å
• c: 6.8155 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2152.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No