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Information card for entry 2022783
Preview
Coordinates | 2022783.cif |
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Structure factors | 2022783.hkl |
Original IUCr paper | HTML |
Common name | 5-(β-<i>D</i>-Glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine |
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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 Å3 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
284690 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022783 via cif-deposit CGI script. |
2022783.cif 2022783.hkl |
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Users of the data should acknowledge the original authors of the
structural data.