Information card for entry 4504640

Structure parameters

• Chemical name: [N-(2-pyridyl) acetamide]2, fumaric acid
• Formula: C18 H20 N4 O6
• Calculated formula: C18 H20 N4 O6
• SMILES: c1nc(NC(=O)C)ccc1.C(=O)(O)/C=C/C(=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: 4.8875 ± 0.0005 Å
• b: 8.4817 ± 0.0008 Å
• c: 11.4723 ± 0.0011 Å
• α: 110.375 ± 0.002°
• β: 91 ± 0.002°
• γ: 96.451 ± 0.002°
• Cell volume: 442.18 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No