Information card for entry 2241313

Structure parameters

• Common name: 4-formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate
• Chemical name: 4-Formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate
• Formula: C14 H7 Cl N2 O7
• Calculated formula: C14 H7 Cl N2 O7
• SMILES: Clc1cc(c(cc1)C(=O)Oc1c(N(=O)=O)cc(cc1)C=O)N(=O)=O
• Title of publication: Crystal structure of 4-formyl-2-nitrophenyl 4-chloro-2-nitrobenzoate
• Authors of publication: Moreno-Fuquen, Rodolfo; Hernández, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o940
• a: 7.7366 ± 0.0002 Å
• b: 7.948 ± 0.0002 Å
• c: 12.6539 ± 0.0005 Å
• α: 90.0655 ± 0.0011°
• β: 100.32 ± 0.0011°
• γ: 104.063 ± 0.0012°
• Cell volume: 741.75 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0802
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes