Information card for entry 2215806

Structure parameters

• Common name: Sulfamethoxazole chloride
• Chemical name: 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride
• Formula: C10 H12 Cl N3 O3 S
• Calculated formula: C10 H12 Cl N3 O3 S
• SMILES: S(=O)(=O)(Nc1noc(c1)C)c1ccc([NH3+])cc1.[Cl-]
• Title of publication: Hydrogen-bonding patterns in 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride
• Authors of publication: Annamalai Subashini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4312 - o4313
• a: 8.677 ± 0.002 Å
• b: 15.615 ± 0.003 Å
• c: 10.435 ± 0.002 Å
• α: 90°
• β: 111.29 ± 0.02°
• γ: 90°
• Cell volume: 1317.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes