Information card for entry 2022783

Structure parameters

• Common name: 5-(β-<i>D</i>-Glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
• Chemical name: 5-[(β-<i>D</i>-Glucopyranosyl)sulfanyl]-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
• Formula: C15 H19 N3 O5 S2
• Calculated formula: C15 H19 N3 O5 S2
• Title of publication: Crystal structure of 5-(β-D-glucopyranosylthio)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
• Authors of publication: Abu-Zaied, Mamdouh A.; Hebishy, Ali M. S.; Elgemeie, Galal H.; Salama, Hagar T.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 6.2384 ± 0.00006 Å
• b: 7.4355 ± 0.0001 Å
• c: 18.32032 ± 0.00017 Å
• α: 90°
• β: 91.4183 ± 0.0008°
• γ: 90°
• Cell volume: 849.539 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes