Information card for entry 2209208

Structure parameters

• Common name: Sulfamerazine
• Formula: C11 H12 N4 O2 S
• Calculated formula: C11 H12 N4 O2 S
• SMILES: S(=O)(=O)(Nc1nc(ccn1)C)c1ccc(N)cc1
• Title of publication: A new polymorph of sulfamerazine
• Authors of publication: G. M. Golzar Hossain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2166 - o2167
• a: 11.0966 ± 0.0005 Å
• b: 8.3152 ± 0.0005 Å
• c: 13.964 ± 0.0007 Å
• α: 90°
• β: 99.327 ± 0.004°
• γ: 90°
• Cell volume: 1271.43 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes