Information card for entry 2224690

Structure parameters

• Common name: cysteamine hydrochloride
• Chemical name: 2-mercaptoethanaminium chloride
• Formula: C2 H8 Cl N S
• Calculated formula: C2 H8 Cl N S
• SMILES: SCC[NH3+].[Cl-]
• Title of publication: A monoclinic polymorph of cysteamine hydrochloride
• Authors of publication: Ahmad, Saeed; Shaheen, Muhammad Ashraf; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o134
• a: 7.7441 ± 0.0004 Å
• b: 8.4931 ± 0.0005 Å
• c: 8.7126 ± 0.0005 Å
• α: 90°
• β: 101.962 ± 0.004°
• γ: 90°
• Cell volume: 560.6 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes