Information card for entry 2238155

Structure parameters

• Chemical name: (2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine
• Formula: C18 H24 N4
• Calculated formula: C18 H24 N4
• SMILES: C[C@@H]1CN(Cc2ccccn2)[C@H](CN1Cc1ccccn1)C
• Title of publication: (2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine
• Authors of publication: Goh, Christopher; Morris, Lilliana S.; Girouard, Michael P.; Chidanguro, Tamuka; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1101
• a: 9.4097 ± 0.0005 Å
• b: 9.2191 ± 0.0005 Å
• c: 18.7473 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1626.31 ± 0.15 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: 0.0477
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes