Information card for entry 2009764

Structure parameters

• Formula: C10 H11 N O
• Calculated formula: C10 H11 N O
• SMILES: CC(C#Cc1ccncc1)(O)C
• Title of publication: 2-Methyl-4-(4-pyridyl)-3-butyn-2-ol: a two-dimensional hydrogen-bond network
• Authors of publication: Pollagi, T.P.; Geib, S.J.; Hopkins, M.D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 910 - 913
• a: 8.238 ± 0.002 Å
• b: 8.968 ± 0.002 Å
• c: 25.165 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859.1 ± 0.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No