Information card for entry 2230640

Structure parameters

• Common name: 5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine
• Chemical name: 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-5,6-dimethyl-1,2,4-triazine
• Formula: C10 H12 N6
• Calculated formula: C10 H12 N6
• SMILES: Cc1nnc(nc1C)c1nnc(c(n1)C)C
• Title of publication: 5,5',6,6'-Tetramethyl-3,3'-bi-1,2,4-triazine
• Authors of publication: Wolińska, Ewa; Karczmarzyk, Zbigniew; Rykowski, Andrzej; Wysocki, Waldemar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1613
• a: 8.1167 ± 0.0007 Å
• b: 10.6662 ± 0.0012 Å
• c: 12.7127 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.59 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.2354
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes