Information card for entry 7052361

Structure parameters

• Chemical name: (2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine), (2,4-difluorobenzoic acid)
• Formula: C18 H16 F2 N4 O3
• Calculated formula: C18 H16 F2 N4 O3
• Title of publication: Balancing intermolecular hydrogen-bond interactions for the directed assembly of binary 1 : 1 co-crystals
• Authors of publication: Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 1452
• a: 33.158 ± 0.004 Å
• b: 7.3848 ± 0.0007 Å
• c: 14.1634 ± 0.0016 Å
• α: 90°
• β: 106.439 ± 0.006°
• γ: 90°
• Cell volume: 3326.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No