Information card for entry 7202842

Structure parameters

• Common name: 2-aminoethane sulfonic acid
• Chemical name: 2-aminoethane sulfonic acid
• Formula: C2 H7 N O3 S
• Calculated formula: C2 H7 N O3 S
• SMILES: S(=O)(=O)([O-])CC[NH3+]
• Title of publication: X-Ray induced radiation damage in taurine: a combined X-ray diffraction and Raman study.
• Authors of publication: Beukes, J. A.; Mo, F.; van Beek, W.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 33
• Pages of publication: 4709 - 4720
• a: 5.2815 ± 0.0011 Å
• b: 11.644 ± 0.002 Å
• c: 7.9276 ± 0.0016 Å
• α: 90°
• β: 94.09 ± 0.03°
• γ: 90°
• Cell volume: 486.29 ± 0.16 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Ambient diffracton pressure: 100 kPa
• 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 all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7256 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No