Information card for entry 7052832

Structure parameters

• Common name: N-(2-pyrimidyl)amino-1-phenyloethanol
• Chemical name: N-(2-pyrimidyl)amino-1-phenyloethanol
• Formula: C12 H13 N3 O
• Calculated formula: C12 H13 N3 O
• Title of publication: Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups
• Authors of publication: Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 603
• a: 5.605 ± 0.0011 Å
• b: 20.972 ± 0.004 Å
• c: 9.5 ± 0.0019 Å
• α: 90°
• β: 108.11 ± 0.03°
• γ: 90°
• Cell volume: 1061.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.8162 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No