Information card for entry 2235410

Structure parameters

• Chemical name: <i>N</i>-(4-Isocyanophenyl)succinamic acid
• Formula: C11 H10 N2 O3
• Calculated formula: C11 H10 N2 O3
• SMILES: OC(=O)CCC(=O)Nc1ccc([N]#[C])cc1
• Title of publication: <i>N</i>-(4-Isocyanophenyl)succinamic acid
• Authors of publication: Burnham, Lauren E.; Gano, Katrina J.; Young, Amber M.; Risley, John M.; Jones, Daniel S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2078
• a: 5.0974 ± 0.0002 Å
• b: 16.2774 ± 0.0007 Å
• c: 12.5674 ± 0.0006 Å
• α: 90°
• β: 94.771 ± 0.004°
• γ: 90°
• Cell volume: 1039.13 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0478
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54182 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes