Information card for entry 2224780

Structure parameters

• Chemical name: 2-(2-Pyridylsulfanyl)acetic acid
• Formula: C7 H7 N O2 S
• Calculated formula: C7 H7 N O2 S
• Title of publication: 2-(2-Pyridylsulfanyl)acetic acid
• Authors of publication: Li, Xiao-Feng; An, Yan; Chen, Hui-Guo; Dong, Li-Hua; Yan, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o234
• a: 14.5521 ± 0.0019 Å
• b: 6.6774 ± 0.0013 Å
• c: 7.7212 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 750.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes