Information card for entry 2228198

Structure parameters

• Chemical name: 1-(3-Chlorophenyl)-3-(4-nitrophenyl)urea
• Formula: C13 H10 Cl N3 O3
• Calculated formula: C13 H10 Cl N3 O3
• SMILES: Clc1cc(NC(=O)Nc2ccc(N(=O)=O)cc2)ccc1
• Title of publication: 1-(3-Chlorophenyl)-3-(4-nitrophenyl)urea
• Authors of publication: Sun, Ting; Li, Jing; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2812
• a: 8.341 ± 0.0013 Å
• b: 12.541 ± 0.0018 Å
• c: 12.112 ± 0.0016 Å
• α: 90°
• β: 99.866 ± 0.005°
• γ: 90°
• Cell volume: 1248.2 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes