Information card for entry 2228316

Structure parameters

• Chemical name: 2-Phenyl-2-(pyridin-2-yl)-hexahydropyrimidine
• Formula: C15 H17 N3
• Calculated formula: C15 H17 N3
• SMILES: n1ccccc1C1(NCCCN1)c1ccccc1
• Title of publication: 2-Phenyl-2-(pyridin-2-yl)hexahydropyrimidine
• Authors of publication: Jayaratna, Naleen B.; Norman, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3149
• a: 8.2173 ± 0.0002 Å
• b: 9.0211 ± 0.0002 Å
• c: 9.1481 ± 0.0003 Å
• α: 97.277 ± 0.001°
• β: 94.216 ± 0.001°
• γ: 112.036 ± 0.001°
• Cell volume: 618.11 ± 0.03 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No