Information card for entry 8104943

Structure parameters

• Common name: 2,6-dimethyl-4-nitro-phenol
• Chemical name: 2,6-dimethyl-4-nitro-phenol
• Formula: C8 H9 N O3
• Calculated formula: C8 H9 N O3
• Title of publication: The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 269 - 271
• a: 6.9121 ± 0.0004 Å
• b: 26.97 ± 0.0015 Å
• c: 8.7204 ± 0.0005 Å
• α: 90°
• β: 106.152 ± 0.003°
• γ: 90°
• Cell volume: 1561.48 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No