Information card for entry 2223423

Structure parameters

• Common name: 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzen
• Chemical name: 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
• Formula: C13 H9 Cl F N O3
• Calculated formula: C13 H9 Cl F N O3
• SMILES: Clc1c(OCc2cc(F)ccc2)ccc(N(=O)=O)c1
• Title of publication: 2-Chloro-1-(3-fluorobenzyloxy)-4-nitrobenzene
• Authors of publication: Yu, Hui-ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2327
• a: 8.329 ± 0.0017 Å
• b: 12.64 ± 0.003 Å
• c: 11.875 ± 0.002 Å
• α: 90°
• β: 96.94 ± 0.03°
• γ: 90°
• Cell volume: 1241 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.1025
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes