Information card for entry 2230260

Structure parameters

• Common name: 2'-Chloro-4-methoxy-3-nitrobenzil
• Chemical name: 1-(2-chlorophenyl)-2-(4-methoxy-3-nitrophenyl)ethane-1,2-dione
• Formula: C15 H10 Cl N O5
• Calculated formula: C15 H10 Cl N O5
• SMILES: Clc1ccccc1C(=O)C(=O)c1cc(N(=O)=O)c(OC)cc1
• Title of publication: 2'-Chloro-4-methoxy-3-nitrobenzil
• Authors of publication: Nithya, G.; Thanuja, B.; Chakkaravarthi, G.; Kanagam, Charles C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1535
• a: 7.8559 ± 0.0002 Å
• b: 8.1003 ± 0.0002 Å
• c: 12.4961 ± 0.0003 Å
• α: 74.893 ± 0.001°
• β: 74.809 ± 0.002°
• γ: 68.593 ± 0.001°
• Cell volume: 702.31 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes