Information card for entry 8106781

Structure parameters

• Formula: C11 H10 N2 O S
• Calculated formula: C11 H10 N2 O S
• Title of publication: Crystal structure of 4-((pyridin-4-ylmethyl)sulfinyl)pyridine, C11H10N2OS
• Authors of publication: Yan, Hao-Jie; Wang, Zhi-Peng; Zhang, Qi-Qi; Chen, Wen-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 47 - 48
• a: 12.05 ± 0.003 Å
• b: 5.5218 ± 0.0013 Å
• c: 8.1813 ± 0.0019 Å
• α: 90°
• β: 107.934 ± 0.006°
• γ: 90°
• Cell volume: 517.9 ± 0.2 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: 0.0586
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No