Information card for entry 2008613

Structure parameters

• Chemical name: N,N'-Dimethyl-2,2'-biimidazole
• Formula: C8 H10 N4
• Calculated formula: C8 H10 N4
• SMILES: Cn1ccnc1c1nccn1C
• Title of publication: 1,1'-Dimethyl-2,2'-biimidazole
• Authors of publication: Therrien, Bruno; Beauchamp, André L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900054
• a: 6.676 ± 0.001 Å
• b: 5.567 ± 0.0009 Å
• c: 11.471 ± 0.003 Å
• α: 90°
• β: 103.88 ± 0.04°
• γ: 90°
• Cell volume: 413.87 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections: 0.911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes