Information card for entry 8104646

Structure parameters

• Formula: C8 H12 N2 O3 S
• Calculated formula: C8 H12 N2 O3 S
• Title of publication: The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S
• Authors of publication: Zhu, Yanfang; Xu, Guiyang; Song, Wenqi; Miao, Zongcheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 993 - 994
• a: 6.0324 ± 0.0005 Å
• b: 7.1692 ± 0.0006 Å
• c: 21.6655 ± 0.0017 Å
• α: 90°
• β: 97.022 ± 0.003°
• γ: 90°
• Cell volume: 929.95 ± 0.13 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No