Information card for entry 4500823

Structure parameters

• Formula: C19 H20 N5 O4 S
• Calculated formula: C19 H20 N5 O4 S
• SMILES: S(=O)(=O)(N=c1[nH]c(C)cc(n1)C)c1ccc(N)cc1.O=C(c1ccc(O)cc1)N
• 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: 8.3238 ± 0.0006 Å
• b: 9.5864 ± 0.0008 Å
• c: 14.0808 ± 0.0011 Å
• α: 109.249 ± 0.002°
• β: 95.432 ± 0.002°
• γ: 106.165 ± 0.002°
• Cell volume: 997.06 ± 0.14 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: 0.0614
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No