Information card for entry 7200790

Structure parameters

• Formula: C7 H9 N O
• Calculated formula: C7 H9 N O
• SMILES: Nc1ccc(CO)cc1
• 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: 15.0879 ± 0.0007 Å
• b: 7.4306 ± 0.0003 Å
• c: 5.7751 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 647.46 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No