Information card for entry 2003727

Structure parameters

• Formula: C11 H12 N2 O2
• Calculated formula: C11 H12 N2 O2
• SMILES: N#C/C(=C\c1ccco1)/C(=O)NC(C)C
• 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: 5.083 ± 0.002 Å
• b: 15.551 ± 0.006 Å
• c: 13.647 ± 0.005 Å
• α: 90°
• β: 98.94 ± 0.03°
• γ: 90°
• Cell volume: 1065.6 ± 0.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 3.16
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No