Information card for entry 2224213

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
• Formula: C16 H13 N O4
• Calculated formula: C16 H13 N O4
• SMILES: C(=C\C(=O)c1ccccc1N(=O)=O)/c1ccc(cc1)OC
• Title of publication: 3-(4-Methoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-one
• Authors of publication: Guo, Huan-Mei; Liu, Le-Qing; Yang, Jie; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3117
• a: 11.594 ± 0.002 Å
• b: 7.7736 ± 0.0016 Å
• c: 15.174 ± 0.003 Å
• α: 90°
• β: 94.59 ± 0.03°
• γ: 90°
• Cell volume: 1363.2 ± 0.5 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: 0.0461
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes