Information card for entry 2227727

Structure parameters

• Chemical name: 1,5-Diphenylcarbonohydrazide <i>N</i>,<i>N</i>-dimethylformamide
• Formula: C16 H21 N5 O2
• Calculated formula: C16 H21 N5 O2
• SMILES: c1(ccccc1)NNC(=O)NNc1ccccc1.C(=O)N(C)C
• Title of publication: 1,5-Diphenylcarbonohydrazide <i>N</i>,<i>N</i>-dimethylformamide
• Authors of publication: Zhang, Ai-yun; Ma, Si-yao; Bu, Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2734 - o2735
• a: 5.9774 ± 0.0002 Å
• b: 14.8531 ± 0.0006 Å
• c: 18.4827 ± 0.0007 Å
• α: 90°
• β: 96.029 ± 0.003°
• γ: 90°
• Cell volume: 1631.87 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes