Information card for entry 2012901

Structure parameters

• Chemical name: 2-(hydroxymethyl)-1,2-propanediol
• Formula: C4 H10 O3
• Calculated formula: C4 H10 O3
• Title of publication: Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide
• Authors of publication: Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o499 - o502
• a: 4.8066 ± 0.0003 Å
• b: 9.5179 ± 0.0006 Å
• c: 6.1346 ± 0.0004 Å
• α: 90°
• β: 107.911 ± 0.004°
• γ: 90°
• Cell volume: 267.05 ± 0.03 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes