Information card for entry 2003728

Structure parameters

• Formula: C8 H6 N2 O2
• Calculated formula: C8 H6 N2 O2
• SMILES: N#C/C(=C\c1ccco1)/C(=O)N
• Title of publication: Two Cyanacrylamides
• Authors of publication: Pomés Hernández, R.; Duque Rodriguez, J.; Villena Rodriguez, R.; Soriano Garcia, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1575 - 1577
• a: 9.876 ± 0.003 Å
• b: 10.325 ± 0.004 Å
• c: 3.87 ± 0.008 Å
• α: 93.86 ± 0.02°
• β: 97.61 ± 0.02°
• γ: 103.52 ± 0.03°
• Cell volume: 378.3 ± 0.8 ų
• Cell temperature: 293 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: 0.064
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No