Information card for entry 4504646

Structure parameters

• Chemical name: [N-(2-pyridyl)acetamide]2, decanedioic acid
• Formula: C24 H34 N4 O6
• Calculated formula: C24 H34 N4 O6
• SMILES: c1(ccccn1)NC(=O)C.C(=O)(O)CCCCCCCCC(=O)O.c1(ccccn1)NC(=O)C
• 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: 5.3767 ± 0.0004 Å
• b: 6.5416 ± 0.0004 Å
• c: 17.0662 ± 0.0012 Å
• α: 92.809 ± 0.001°
• β: 90.247 ± 0.001°
• γ: 101.314 ± 0.001°
• Cell volume: 587.82 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No