Information card for entry 8107006

Structure parameters

• Formula: C11 H10 N2 O2 S
• Calculated formula: C11 H10 N2 O2 S
• Title of publication: Crystal structure of 4-(pyridin-4-ylmethylsulfonyl)pyridine, C11H10N2O2S
• Authors of publication: Liu, Rui-Heng; Qin, Zhao-Xian; Guo, Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 789 - 790
• a: 12.0784 ± 0.0004 Å
• b: 5.3304 ± 0.0002 Å
• c: 8.937 ± 0.0003 Å
• α: 90°
• β: 108.263 ± 0.002°
• γ: 90°
• Cell volume: 546.4 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No