Information card for entry 2223163

Structure parameters

• Chemical name: <i>n</i>-Butyl 2-(3-chloro-1,2-dihydropyrazin-2-ylidene)-2-cyanoacetate
• Formula: C11 H12 Cl N3 O2
• Calculated formula: C11 H12 Cl N3 O2
• Title of publication: <i>n</i>-Butyl 2-(3-chloro-1,2-dihydropyrazin-2-ylidene)-2-cyanoacetate
• Authors of publication: Stefańska, Anita; Ossowski, Tadeusz; Ponikiewski, Łukasz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2157 - o2158
• a: 4.918 ± 0.003 Å
• b: 25.642 ± 0.007 Å
• c: 10.573 ± 0.004 Å
• α: 90°
• β: 95.8 ± 0.03°
• γ: 90°
• Cell volume: 1326.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes