Information card for entry 4500815

Structure parameters

• Formula: C19 H20 N4 O5 S
• Calculated formula: C19 H20 N4 O5 S
• SMILES: S(=O)(=O)(N=c1[nH]c(C)cc(n1)C)c1ccc(N)cc1.OC(=O)c1ccc(O)cc1
• 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: 8.006 ± 0.0005 Å
• b: 9.3913 ± 0.0005 Å
• c: 13.4786 ± 0.0008 Å
• α: 74.611 ± 0.003°
• β: 75.053 ± 0.003°
• γ: 86.102 ± 0.003°
• Cell volume: 944.02 ± 0.1 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: 0.0527
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No