Information card for entry 2201715

Structure parameters

• Common name: N,N-dimethylpiperazine
• Formula: C6 H14 N2
• Calculated formula: C6 H14 N2
• SMILES: CN1CCN(CC1)C
• Title of publication: <i>N,N</i>'-Dimethylpiperazine, grown at 270K and studied at 220K
• Authors of publication: Andrew Parkin; Simon Parsons
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o981 - o982
• a: 5.8083 ± 0.0009 Å
• b: 10.9298 ± 0.0019 Å
• c: 5.7575 ± 0.0008 Å
• α: 90°
• β: 99.903 ± 0.012°
• γ: 90°
• Cell volume: 360.06 ± 0.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.041
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes