Information card for entry 2226107

Structure parameters

• Chemical name: 4-Nitro-2-phenoxyaniline
• Formula: C12 H10 N2 O3
• Calculated formula: C12 H10 N2 O3
• SMILES: c1(ccc(c(c1)Oc1ccccc1)N)N(=O)=O
• Title of publication: 4-Nitro-2-phenoxyaniline
• Authors of publication: Manjunath, H. R.; Shreenivasa, M. T.; Mahendra, M.; Mohan Kumar, T. M.; Kumara Swamy, B. E.; Sridhar, M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1255
• a: 10.41 ± 0.0012 Å
• b: 15.657 ± 0.0018 Å
• c: 6.96 ± 0.0017 Å
• α: 90°
• β: 103.406 ± 0.004°
• γ: 90°
• Cell volume: 1103.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes