Information card for entry 2216944

Structure parameters

• Common name: 2-amino-4,6-dimethoxy pyrimidine anthranilic acid
• Chemical name: 2-amino-4,6-dimethoxypyrimidine‒anthranilic acid (1/1)
• Formula: C13 H16 N4 O4
• Calculated formula: C13 H16 N4 O4
• SMILES: O(c1nc(nc(OC)c1)N)C.O=C(O)c1c(N)cccc1
• Title of publication: Hydrogen-bonding patterns in the cocrystal 2-amino-4,6-dimethoxypyrimidine‒anthranilic acid (1/1)
• Authors of publication: Kaliyaperumal Thanigaimani; Packianathan Thomas Muthiah; Daniel E. Lynch
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o107 - o108
• a: 7.2802 ± 0.0003 Å
• b: 7.4095 ± 0.0002 Å
• c: 25.8035 ± 0.0009 Å
• α: 83.636 ± 0.002°
• β: 83.162 ± 0.001°
• γ: 82.373 ± 0.002°
• Cell volume: 1363.38 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0895
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes