Information card for entry 7245455

Structure parameters

• Common name: Sulfathiazole, N-methylacetamide solvate
• Chemical name: Sulfathiazole, N-methylacetamide (1:1) solvate
• Formula: C12 H16 N4 O3 S2
• Calculated formula: C12 H16 N4 O3 S2
• Title of publication: The extensive solid-form landscape of sulfathiazole: hydrogen-bond topology and node shape
• Authors of publication: Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.6023 ± 0.0003 Å
• b: 8.1642 ± 0.0002 Å
• c: 35.1366 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3041.4 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No