Information card for entry 2227228

Structure parameters

• Chemical name: 2-Amino-4-nitrophenol monohydrate
• Formula: C6 H8 N2 O4
• Calculated formula: C6 H8 N2 O4
• SMILES: Oc1c(N)cc(cc1)N(=O)=O.O
• Title of publication: 2-Amino-4-nitrophenol monohydrate
• Authors of publication: Tanak, Hasan; Erşahin, Ferda; Yavuz, Metin; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2544
• a: 7.539 ± 0.005 Å
• b: 21.436 ± 0.005 Å
• c: 9.714 ± 0.005 Å
• α: 90°
• β: 99.328 ± 0.005°
• γ: 90°
• Cell volume: 1549.1 ± 1.3 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: 0.122
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes