Information card for entry 2206997

Structure parameters

• Chemical name: 4-Nitrophenol‒carbamide (1/1)
• Formula: C7 H9 N3 O4
• Calculated formula: C7 H9 N3 O4
• SMILES: O=N(=O)c1ccc(O)cc1.O=C(N)N
• Title of publication: 4-Nitrophenol‒urea (1/1)
• Authors of publication: Ya-Juan Zhao; Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3366 - o3367
• a: 3.7619 ± 0.0009 Å
• b: 10.23 ± 0.002 Å
• c: 11.81 ± 0.003 Å
• α: 98.634 ± 0.004°
• β: 92.415 ± 0.005°
• γ: 99.326 ± 0.004°
• Cell volume: 442.38 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes