Information card for entry 1543574

Structure parameters

• Common name: Sulfamethizole‒2-amino-4,6-dimethoxypyrimidine (1/1)
• Chemical name: 4-Amino-<i>N</i>-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide; 2-amino-4,6-dimethoxypyrimidine
• Formula: C15 H19 N7 O4 S2
• Calculated formula: C15 H19 N7 O4 S2
• SMILES: c1(ccc(cc1)N)S(=O)(=O)N=C1NN=C(C)S1.c1(nc(cc(n1)OC)OC)N
• Title of publication: Sulfamethizole‒2-amino-4,6-dimethoxypyrimidine (1/1)
• Authors of publication: Öztürk, Filiz; Bulut, İclal; Yavuz, Yunus Emre; Bulut, Ahmet
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x161030
• a: 7.9645 ± 0.0005 Å
• b: 10.3576 ± 0.0006 Å
• c: 12.7222 ± 0.0007 Å
• α: 101.576 ± 0.005°
• β: 101.64 ± 0.005°
• γ: 100.566 ± 0.005°
• Cell volume: 979.21 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes