Information card for entry 2213352

Structure parameters

• Chemical name: 3-(Acetylamino)benzoic acid
• Formula: C9 H9 N O3
• Calculated formula: C9 H9 N O3
• Title of publication: 3-(Acetylamino)benzoic acid
• Authors of publication: Hansen, Lars Kr.; Perlovich, German L.; Bauer-Brandl, Annette
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2361 - o2361
• a: 3.9522 ± 0.0015 Å
• b: 10.699 ± 0.004 Å
• c: 19.831 ± 0.007 Å
• α: 90°
• β: 93.393 ± 0.008°
• γ: 90°
• Cell volume: 837.1 ± 0.5 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.496
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes