Information card for entry 2238884

Structure parameters

• Chemical name: 2-(Phenylselenonyl)pyridine
• Formula: C11 H9 N O2 Se
• Calculated formula: C11 H9 N O2 Se
• SMILES: [Se](=O)(=O)(c1ncccc1)c1ccccc1
• Title of publication: 2-(Phenylselenonyl)pyridine
• Authors of publication: Gulati, Shivani; Bhasin, K. K.; Potapov, V. A.; Arora, Ekta; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1791
• a: 6.1598 ± 0.0005 Å
• b: 7.7223 ± 0.0006 Å
• c: 11.4952 ± 0.0007 Å
• α: 80.683 ± 0.006°
• β: 83.494 ± 0.006°
• γ: 74.614 ± 0.007°
• Cell volume: 518.83 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No