Information card for entry 1502725

Structure parameters

• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• Title of publication: Self-organization of 2-acylaminopyridines in the solid state and in solution.
• Authors of publication: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 38
• Pages of publication: 10421 - 10426
• a: 16.3623 ± 0.0004 Å
• b: 9.5058 ± 0.0002 Å
• c: 12.8922 ± 0.0003 Å
• α: 90°
• β: 112.879 ± 0.002°
• γ: 90°
• Cell volume: 1847.46 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No