Information card for entry 7208255

Structure parameters

• Common name: 3-nitro-2-hydroxybenzoic acid
• Chemical name: 3-nitro-2-hydroxybenzoic acid
• Formula: C7 H7 N O6
• Calculated formula: C7 H5 N O6
• 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: 3.5943 ± 0.0002 Å
• b: 21.115 ± 0.002 Å
• c: 10.7227 ± 0.001 Å
• α: 90°
• β: 98.95 ± 0.006°
• γ: 90°
• Cell volume: 803.88 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1163
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No