Information card for entry 2003633

Structure parameters

• Formula: C8 H7 N3 O
• Calculated formula: C8 H7 N3 O
• SMILES: N#CNC(=O)Nc1ccccc1
• Title of publication: Phenyl Carbamidonitrile
• Authors of publication: Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1412 - 1414
• a: 11.528 ± 0.003 Å
• b: 9.166 ± 0.001 Å
• c: 14.655 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1548.5 ± 0.5 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0455
• Goodness-of-fit parameter for significantly intense reflections: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No