Information card for entry 7052829

Structure parameters

• Chemical name: N-(2-pyridyl)N-benzylaminoethanol
• Formula: C14 H16 N2 O
• Calculated formula: C14 H16 N2 O
• SMILES: c1(ccccn1)N(CCO)Cc1ccccc1
• 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: 10.756 ± 0.002 Å
• b: 5.926 ± 0.0012 Å
• c: 18.84 ± 0.004 Å
• α: 90°
• β: 99.58 ± 0.03°
• γ: 90°
• Cell volume: 1184.1 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.8162 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No