Information card for entry 2233898

Structure parameters

• Chemical name: <i>N</i>-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide
• Formula: C10 H13 N3 O
• Calculated formula: C10 H13 N3 O
• SMILES: O=C(Nc1ccccc1)NN=C(C)C
• Title of publication: <i>N</i>-Phenyl-2-(propan-2-ylidene)hydrazinecarboxamide
• Authors of publication: Attia, Mohamed I.; Ghabbour, Hazem A.; El-Azzouny, Aida A.; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o671
• a: 6.2225 ± 0.0003 Å
• b: 15.3429 ± 0.0007 Å
• c: 11.8897 ± 0.0005 Å
• α: 90°
• β: 112.283 ± 0.004°
• γ: 90°
• Cell volume: 1050.36 ± 0.09 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: 0.0899
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes