Information card for entry 1519221

Structure parameters

• Formula: C10 H12 N O2
• Calculated formula: C10 H12 N O2
• SMILES: O(N(C(=O)C)C)Cc1ccccc1
• Title of publication: C10H12NO2
• Authors of publication: Jones, Ray; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 742
• a: 5.3172 ± 0.0014 Å
• b: 8.805 ± 0.003 Å
• c: 20.641 ± 0.007 Å
• α: 90°
• β: 91.695 ± 0.017°
• γ: 90°
• Cell volume: 965.9 ± 0.5 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: 0.21
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No