Information card for entry 2001267

Structure parameters

• Chemical name: 6-(2-methylpropylthio)pyridin-2-yl methanesulfonate
• Formula: C10 H15 N O3 S2
• Calculated formula: C10 H15 N O3 S2
• Title of publication: 6-(2-Methylpropylthio)-2-pyridyl methanesulfonate
• Authors of publication: Mackay, M. F.; Holan, G.; Wernert, G. T.; Winkler, D. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 2039 - 2040
• a: 13.655 ± 0.001 Å
• b: 5.562 ± 0.001 Å
• c: 17.1 ± 0.002 Å
• α: 90°
• β: 98.82 ± 0.01°
• γ: 90°
• Cell volume: 1283.4 ± 0.3 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No