Information card for entry 2230254

Structure parameters

• Common name: 2,5-Bis[4-(dimethylamino)phenyl]-3,6-dimethylpyrazine
• Chemical name: 4-{5-[4-(dimethylamino)phenyl]-3,6-dimethylpyrazin-2-yl}- <i>N</i>,<i>N</i>-dimethylaniline
• Formula: C22 H26 N4
• Calculated formula: C22 H26 N4
• SMILES: c1(nc(c(nc1C)c1ccc(cc1)N(C)C)C)c1ccc(cc1)N(C)C
• Title of publication: 2,5-Bis[4-(dimethylamino)phenyl]-3,6-dimethylpyrazine
• Authors of publication: Moschel, Sebastian; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1425
• a: 9.459 ± 0.001 Å
• b: 9.6368 ± 0.0016 Å
• c: 11.9661 ± 0.0015 Å
• α: 73.3 ± 0.01°
• β: 69.465 ± 0.011°
• γ: 74.446 ± 0.01°
• Cell volume: 961.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes