Information card for entry 8106719

Structure parameters

• Formula: C9 H9 N O3
• Calculated formula: C9 H9 N O3
• Title of publication: A single crystal study on 2-(methylcarbamoyl)benzoic acid, C9H9NO3
• Authors of publication: Wei, Pengfei; Yang, Xiao-Li; Wang, Kun-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 917 - 918
• a: 8.7201 ± 0.0008 Å
• b: 8.6453 ± 0.0009 Å
• c: 11.8083 ± 0.0009 Å
• α: 90°
• β: 100.83 ± 0.003°
• γ: 90°
• Cell volume: 874.35 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No