Information card for entry 2213192

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-3-hydroxy-1-(3-nitrophenyl)propan-1-one
• Formula: C15 H11 Cl2 N O4
• Calculated formula: C15 H11 Cl2 N O4
• SMILES: Clc1c(C(O)CC(=O)c2cc(N(=O)=O)ccc2)ccc(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenyl)-3-hydroxy-1-(3-nitrophenyl)propan-1-one
• Authors of publication: Luo, Zhi-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2563 - o2564
• a: 7.444 ± 0.0015 Å
• b: 8.546 ± 0.0017 Å
• c: 12.257 ± 0.003 Å
• α: 77.86 ± 0.03°
• β: 81.28 ± 0.03°
• γ: 83.18 ± 0.03°
• Cell volume: 750.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes