Information card for entry 2219657

Structure parameters

• Chemical name: 2,3-Bis(pyrazin-2-yloxyimino)butane
• Formula: C12 H12 N6 O2
• Calculated formula: C12 H12 N6 O2
• SMILES: CC(=N\Oc1nccnc1)/C(=N/Oc1nccnc1)C
• Title of publication: 2,3-Bis(pyrazin-2-yloxyimino)butane
• Authors of publication: Yang, Lin Yan; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1994
• a: 4.7396 ± 0.0015 Å
• b: 17.141 ± 0.005 Å
• c: 7.911 ± 0.003 Å
• α: 90°
• β: 98.065 ± 0.005°
• γ: 90°
• Cell volume: 636.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes