Information card for entry 2223518

Structure parameters

• Chemical name: 4-Phenylsemicarbazide
• Formula: C7 H9 N3 O
• Calculated formula: C7 H9 N3 O
• SMILES: NNC(=O)Nc1ccccc1
• Title of publication: 4-Phenylsemicarbazide
• Authors of publication: Ashiq, Uzma; Jamal, Rifat Ara; Arshad, Muhammad Nadeem; Maqsood, Zahida Tasneem; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2360
• a: 16.5984 ± 0.001 Å
• b: 8.8862 ± 0.0004 Å
• c: 10.3518 ± 0.0006 Å
• α: 90°
• β: 91.359 ± 0.003°
• γ: 90°
• Cell volume: 1526.43 ± 0.14 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: 0.0743
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes