Information card for entry 2105974

Structure parameters

• Formula: C6 H7 N O5
• Calculated formula: C6 H7 N O5
• SMILES: C(=O)(/C=C\C(=O)NCC(=O)O)O
• Title of publication: Unusual crystal structure of <i>N</i>-substituted maleamic acid ‒ very strong effect of intramolecular hydrogen bonds
• Authors of publication: Francis, Raju; Raghavaiah, Pallepogu; Pius, Kuruvilla
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: 942 - 947
• a: 8.1895 ± 0.0007 Å
• b: 9.8902 ± 0.0009 Å
• c: 10.6709 ± 0.0009 Å
• α: 113.376 ± 0.001°
• β: 104.25 ± 0.001°
• γ: 103.472 ± 0.001°
• Cell volume: 713.87 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes