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Information card for entry 7245455
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Coordinates | 7245455.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sulfathiazole, N-methylacetamide solvate |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7245455.html
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