Information card for entry 2225783

Structure parameters

• Chemical name: 1-Benzoyl-4-(2-nitrophenyl)semicarbazide
• Formula: C14 H12 N4 O4
• Calculated formula: C14 H12 N4 O4
• SMILES: O=N(=O)c1c(NC(=O)NNC(=O)c2ccccc2)cccc1
• Title of publication: 1-Benzoyl-4-(2-nitrophenyl)semicarbazide
• Authors of publication: Sun, Ting; Li, Gong-Chun; Li, Jing; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1113
• a: 4.655 ± 0.002 Å
• b: 15.02 ± 0.007 Å
• c: 10.005 ± 0.005 Å
• α: 90°
• β: 97.954 ± 0.007°
• γ: 90°
• Cell volume: 692.8 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes