Information card for entry 2240307

Structure parameters

• Chemical name: 4-Cyclopropyl-6-methyl-<i>N</i>-phenylpyrimidin-2-amine
• Formula: C14 H15 N3
• Calculated formula: C14 H15 N3
• SMILES: N(c1ccccc1)c1nc(cc(n1)C)C1CC1
• Title of publication: Crystal structure of cyprodinil
• Authors of publication: Jeon, Youngeun; Kang, Gihaeng; Cho, Seonghwa; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o5
• a: 13.192 ± 0.0006 Å
• b: 5.3176 ± 0.0002 Å
• c: 16.8641 ± 0.0007 Å
• α: 90°
• β: 100.288 ± 0.002°
• γ: 90°
• Cell volume: 1163.99 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes