Information card for entry 2227351

Structure parameters

• Chemical name: 1-(1-Phenylethylidene)carbonohydrazide
• Formula: C9 H12 N4 O
• Calculated formula: C9 H12 N4 O
• SMILES: NNC(=O)N/N=C(/c1ccccc1)C
• Title of publication: 1-(1-Phenylethylidene)carbonohydrazide
• Authors of publication: Qiao, Yan; Ju, Xiuping; Gao, Zhiqing; Kong, Lingqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2691
• a: 9.7744 ± 0.0008 Å
• b: 7.3163 ± 0.0007 Å
• c: 28.2761 ± 0.0003 Å
• α: 90°
• β: 90.796 ± 0.001°
• γ: 90°
• Cell volume: 2021.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1582
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes