Information card for entry 7219584

Structure parameters

• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• SMILES: O=CN(Nc1ccccc1)c1ccccc1
• Title of publication: Concise synthesis of semicarbazides and formylhydrazines via direct addition reaction between aromatic azoarenes and N-substituted formamides
• Authors of publication: Liu, Defu; Mao, Jincheng; Rong, Guangwei; Yan, Hong; Zheng, Yang; Chen, Jie
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 25
• Pages of publication: 19301
• a: 6.392 ± 0.0004 Å
• b: 8.4041 ± 0.0005 Å
• c: 20.1646 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1083.22 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No