Information card for entry 4504643

Structure parameters

• Chemical name: [N-(2-pyridyl)acetamide]2, heptanedioic acid
• Formula: C21 H28 N4 O6
• Calculated formula: C21 H28 N4 O6
• SMILES: n1c(NC(=O)C)cccc1.n1c(NC(=O)C)cccc1.C(=O)(O)CCCCCC(=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: 14.3348 ± 0.0006 Å
• b: 16.1008 ± 0.0007 Å
• c: 18.8047 ± 0.0012 Å
• α: 90°
• β: 90.002 ± 0.001°
• γ: 90°
• Cell volume: 4340.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1368
• 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