Information card for entry 2233218

Structure parameters

• Chemical name: <i>N</i>-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide
• Formula: C15 H17 N3 O3
• Calculated formula: C15 H17 N3 O3
• SMILES: O(C)c1nc(nc(OC)c1)NC(=O)Cc1cc(ccc1)C
• Title of publication: <i>N</i>-(4,6-Dimethoxypyrimidin-2-yl)-2-(3-methylphenyl)acetamide
• Authors of publication: Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o226 - o227
• a: 7.1536 ± 0.0006 Å
• b: 8.207 ± 0.0007 Å
• c: 13.8259 ± 0.001 Å
• α: 74.42 ± 0.007°
• β: 86.54 ± 0.006°
• γ: 69.186 ± 0.008°
• Cell volume: 730.31 ± 0.11 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: 0.0574
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes