Information card for entry 7200788

Structure parameters

• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• SMILES: n1ccc(cc1)C(=O)C.Nc1ccc(cc1)CO
• Title of publication: A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors
• Authors of publication: Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1433
• a: 10.913 ± 0.004 Å
• b: 8.774 ± 0.003 Å
• c: 14 ± 0.005 Å
• α: 90°
• β: 99.55 ± 0.02°
• γ: 90°
• Cell volume: 1321.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0836
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No