Information card for entry 2207041

Structure parameters

• Chemical name: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
• Formula: C19 H18 N4 O8
• Calculated formula: C19 H18 N4 O8
• SMILES: O(c1nc(OC)cc(OC)n1)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O
• Title of publication: 2,6-Bis(4,6-dimethoxypyrimidin-2-yloxy)benzoic acid
• Authors of publication: Chopra, Deepak; Mohan, T.P.; Vishalakshi, B.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3281 - o3282
• a: 7.7779 ± 0.0012 Å
• b: 8.2973 ± 0.0013 Å
• c: 16.883 ± 0.003 Å
• α: 87.899 ± 0.003°
• β: 79.054 ± 0.003°
• γ: 70.276 ± 0.003°
• Cell volume: 1006.5 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.1049
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes