Information card for entry 2018573

Structure parameters

• Common name: <i>N</i>,<i>N</i>-dimethylglycine
• Chemical name: 2-(Dimethylamino)acetic acid
• Formula: C4 H9 N O2
• Calculated formula: C4 H9 N O2
• SMILES: [NH+](CC(=O)[O-])(C)C
• Title of publication: The effect of partial methylation of the glycine amino group on crystal structure in <i>N</i>,<i>N</i>-dimethylglycine and its hemihydrate
• Authors of publication: Minkov, Vasily S.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o283 - o287
• a: 11.2228 ± 0.0003 Å
• b: 10.0097 ± 0.0003 Å
• c: 18.7285 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.9 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Cell measurement pressure: 98 kPa
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes