Information card for entry 8107388

Structure parameters

• Formula: C10 H14 N2 O2
• Calculated formula: C10 H14 N2 O2
• Title of publication: Crystal structure of 1,1′-(pyrazine-1,4-diyl)-bis(propan-2-one), C10H14N2O2
• Authors of publication: Zhong, Qi-Di; Wang, Rui; Zhao, Kai-Hui; Fu, Yu-Wei; Li, Dong-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 181 - 182
• a: 4.1183 ± 0.0015 Å
• b: 9.787 ± 0.004 Å
• c: 12.649 ± 0.005 Å
• α: 90°
• β: 100.411 ± 0.012°
• γ: 90°
• Cell volume: 501.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No