Information card for entry 4500816

Structure parameters

• Formula: C19 H20 N4 O6 S
• Calculated formula: C19 H20 N4 O6 S
• SMILES: S(=O)(=O)(Nc1nc(cc(C)n1)C)c1ccc(N)cc1.c1(C(=O)O)ccc(cc1O)O
• Title of publication: Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study
• Authors of publication: Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3489
• a: 7.9671 ± 0.0003 Å
• b: 9.4629 ± 0.0004 Å
• c: 13.9432 ± 0.0006 Å
• α: 73.662 ± 0.002°
• β: 74.468 ± 0.002°
• γ: 87.24 ± 0.002°
• Cell volume: 971.5 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No