Information card for entry 2219223

Structure parameters

• Chemical name: (2<i>E</i>,3<i>E</i>)-3-(Pyrazin-2-yloxyimino)butan-2-one oxime
• Formula: C8 H10 N4 O2
• Calculated formula: C8 H10 N4 O2
• SMILES: C(=N\Oc1cnccn1)(/C(=N/O)C)C
• Title of publication: (2<i>E</i>,3<i>E</i>)-3-(Pyrazin-2-yloxyimino)butan-2-one oxime
• Authors of publication: Chen, Ju Na; Yang, Lin Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1862
• a: 18.174 ± 0.004 Å
• b: 10.962 ± 0.003 Å
• c: 13.271 ± 0.003 Å
• α: 90°
• β: 132.217 ± 0.003°
• γ: 90°
• Cell volume: 1958.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes