Information card for entry 2208422

Structure parameters

• Chemical name: N,N'-Bis(3,5-dimethyl-1H-pyrazol-1-ylmethyl)piperazine
• Formula: C16 H26 N6
• Calculated formula: C16 H26 N6
• SMILES: Cc1cc(nn1CN1CCN(CC1)Cn1nc(cc1C)C)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-ylmethyl)piperazine
• Authors of publication: Abdeljalil, El Fatmi; Najib, Ben Larbi; Abdelali, Kerbal; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1103 - o1104
• a: 9.6944 ± 0.0009 Å
• b: 12.1761 ± 0.0011 Å
• c: 13.7141 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes