Information card for entry 7231361

Structure parameters

• Formula: C19 H19 N5 O5 S2
• Calculated formula: C19 H19 N5 O5 S2
• Title of publication: Robust bulk preparation and characterization of sulfamethazine and saccharine salt and cocrystal polymorphs
• Authors of publication: Perumalla, Sathyanarayana Reddy; Wang, Chenguang; Guo, Yiwang; Shi, Limin; Sun, Changquan Calvin
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2089
• a: 8.0291 ± 0.0002 Å
• b: 17.5002 ± 0.0004 Å
• c: 14.6076 ± 0.0003 Å
• α: 90°
• β: 107.827 ± 0.001°
• γ: 90°
• Cell volume: 1953.97 ± 0.08 ų
• Cell temperature: 128 ± 2 K
• Ambient diffraction temperature: 128 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No