Information card for entry 7052358

Structure parameters

• Chemical name: 2-amino-4-(3-pyridyl)-6-methylpyrimidine, Me5-PhCOOH
• Formula: C22 H26 N4 O2
• Calculated formula: C22 H26 N4 O2
• 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: 8.2088 ± 0.0007 Å
• b: 8.7891 ± 0.0006 Å
• c: 15.3371 ± 0.0012 Å
• α: 92.767 ± 0.005°
• β: 105.536 ± 0.004°
• γ: 115.332 ± 0.004°
• Cell volume: 946.59 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0915
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No