Information card for entry 8104880

Structure parameters

• Common name: DL-α-(Methylaminomethyl)benzyl alcohol
• Chemical name: DL-α-(Methylaminomethyl)benzyl alcohol
• Formula: C9 H13 N O
• Calculated formula: C9 H13 N O
• Title of publication: Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO
• Authors of publication: Manana, Pholani; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 51 - 53
• a: 29.554 ± 0.004 Å
• b: 7.493 ± 0.0011 Å
• c: 8.28 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1833.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No