Information card for entry 2001558

Structure parameters

• Formula: C7 H9 N3 O
• Calculated formula: C7 H9 N3 O
• SMILES: NC(=O)NNc1ccccc1
• Title of publication: Structure of 1-phenylsemicarbazide
• Authors of publication: Okabe, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1402 - 1404
• a: 9.609 ± 0.002 Å
• b: 5.087 ± 0.001 Å
• c: 15.923 ± 0.002 Å
• α: 90°
• β: 91.74 ± 0.01°
• γ: 90°
• Cell volume: 778 ± 0.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No