Information card for entry 2206990

Structure parameters

• Chemical name: 2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol
• Formula: C15 H12 N2 O3
• Calculated formula: C15 H12 N2 O3
• SMILES: O=N(=O)c1ccccc1/C=C/C=N/c1c(O)cccc1
• Title of publication: 2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol
• Authors of publication: Ying Li; Xiao-Yan Yang; Shu-Sheng Zhang; Xue-Mei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3337 - o3338
• a: 22.654 ± 0.003 Å
• b: 7.5464 ± 0.001 Å
• c: 18.816 ± 0.002 Å
• α: 90°
• β: 123.692 ± 0.002°
• γ: 90°
• Cell volume: 2676.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes