Information card for entry 2228284

Structure parameters

• Chemical name: 2,4-Dinitro-1-naphthol
• Formula: C10 H6 N2 O5
• Calculated formula: C10 H6 N2 O5
• SMILES: O=N(=O)c1c2c(cccc2)c(O)c(N(=O)=O)c1
• Title of publication: 2,4-Dinitro-1-naphthol
• Authors of publication: Raza, Abdul Rauf; Sultan, Aeysha; Tahir, M. Nawaz; Rubab, Amra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3101
• a: 7.0512 ± 0.001 Å
• b: 16.3541 ± 0.0019 Å
• c: 8.7988 ± 0.001 Å
• α: 90°
• β: 111.452 ± 0.006°
• γ: 90°
• Cell volume: 944.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes