Information card for entry 4100620

Structure parameters

• Common name: sulfamethoxazole
• Formula: C10 H11 N3 O3 S
• Calculated formula: C10 H11 N3 O3 S
• SMILES: S(=O)(=O)(Nc1noc(c1)C)c1ccc(N)cc1
• Authors of publication: Price, C.P.; Grzesiak, A.L.; Matzger, A.J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 11.64 ± 0.003 Å
• b: 6.8189 ± 0.0019 Å
• c: 15.419 ± 0.004 Å
• α: 90°
• β: 107.106 ± 0.005°
• γ: 90°
• Cell volume: 1169.7 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No