Information card for entry 2004825

Structure parameters

• Formula: C13 H10 N2 O3
• Calculated formula: C13 H10 N2 O3
• SMILES: N#CC(=C\c1ccco1)/C(=O)NCc1ccco1
• Title of publication: Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide. Addendum
• Authors of publication: Durruthy Carbonell, O.; Hernandez, R. A.; Roque Infante, E. M.; Au-Alvarez, O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1318 - 1318
• a: 5.305 ± 0.001 Å
• b: 9.486 ± 0.002 Å
• c: 11.437 ± 0.003 Å
• α: 94.1 ± 0.2°
• β: 93.8 ± 0.2°
• γ: 93.6 ± 0.2°
• Cell volume: 571.5 ± 0.3 ų
• Cell 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 significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1003
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No