Information card for entry 4504644

Structure parameters

• Chemical name: [N-(2-pyridyl)acetamide]2, octanedioic acid
• Formula: C22 H30 N4 O6
• Calculated formula: C22 H30 N4 O6
• SMILES: n1c(NC(=O)C)cccc1.n1c(NC(=O)C)cccc1.C(=O)(O)CCCCCCC(=O)O
• Title of publication: 2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent
• Authors of publication: Aakeröy, Christer B.; Hussain, Izhar; Desper, John
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 474
• a: 13.566 ± 0.002 Å
• b: 9.2129 ± 0.0015 Å
• c: 17.641 ± 0.003 Å
• α: 90°
• β: 101.162 ± 0.002°
• γ: 90°
• Cell volume: 2163.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No