Information card for entry 2235727

Structure parameters

• Chemical name: 4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol
• Formula: C13 H19 N O2
• Calculated formula: C13 H19 N O2
• SMILES: OCC1CCN(Cc2ccc(O)cc2)CC1
• Title of publication: 4-{[4-(Hydroxymethyl)piperidin-1-yl]methyl}phenol
• Authors of publication: Simões, M. C. R.; Landre, I. M. R.; Moreira, M. S.; Viegas, Jr, C.; Doriguetto, A. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2275 - o2276
• a: 6.0428 ± 0.0002 Å
• b: 17.2269 ± 0.0007 Å
• c: 11.301 ± 0.0004 Å
• α: 90°
• β: 94.663 ± 0.004°
• γ: 90°
• Cell volume: 1172.53 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes