Information card for entry 2206085

Structure parameters

• Chemical name: 2-(Cyclopropyliminomethyl)-4-nitrophenol
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• SMILES: O=N(=O)c1ccc(O)c(c1)/C=N/C1CC1
• Title of publication: 2-(Cyclopropyliminomethyl)-4-nitrophenol
• Authors of publication: Zhao, Li-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1670 - o1671
• a: 7.8 ± 0.002 Å
• b: 5.845 ± 0.002 Å
• c: 21.61 ± 0.003 Å
• α: 90°
• β: 97.599 ± 0.002°
• γ: 90°
• Cell volume: 976.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No