Information card for entry 2243950

Structure parameters

• Common name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethanediamine
• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethane-1,2-diamine
• Formula: C6 H16 N2
• Calculated formula: C6 H16 N2
• SMILES: CN(C)CCN(C)C
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethanediamine
• Authors of publication: Schrimpf, Tobias; Otte, Felix; Strohmann, Carsten
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 5.6987 ± 0.0013 Å
• b: 8.311 ± 0.002 Å
• c: 8.453 ± 0.002 Å
• α: 90°
• β: 106.954 ± 0.009°
• γ: 90°
• Cell volume: 382.95 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes