Information card for entry 7208256

Structure parameters

• Common name: 4-actyamino-2-hydroxobenzoic acid
• Chemical name: 4-actyamino-2-hydroxobenzoic acid
• Formula: C9 H9 N O4
• Calculated formula: C9 H9 N O4
• SMILES: O=C(O)c1c(O)cc(NC(=O)C)cc1
• Title of publication: Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids
• Authors of publication: Montis, Riccardo; Hursthouse, Michael B.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5242
• a: 13.5482 ± 0.0008 Å
• b: 5.0245 ± 0.0003 Å
• c: 12.9394 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 880.82 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No