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Information card for entry 2023184
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Coordinates | 2023184.cif |
---|---|
Original IUCr paper | HTML |
Common name | Chlorothiazide |
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Chemical name | 6-Chloro-1,1-dioxo-2<i>H</i>-1,2,4-benzothiazine-7-sulfonamide |
Formula | C7 H6 Cl N3 O4 S2 |
Calculated formula | C7 H6 Cl N3 O4 S2 |
Title of publication | A monoclinic polymorph of chloro-thia-zide. |
Authors of publication | Brydson, Rowan K. H.; Kennedy, Alan R. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 7 |
Pages of publication | 806 - 810 |
a | 4.8296 ± 0.0001 Å |
b | 6.2703 ± 0.0001 Å |
c | 16.9551 ± 0.0002 Å |
α | 90° |
β | 92.214 ± 0.001° |
γ | 90° |
Cell volume | 513.069 ± 0.015 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0281 |
Weighted residual factors for significantly intense reflections | 0.0774 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2023184.html
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