Information card for entry 2209132
| Common name |
Chlorothiazide dimethylformamide solvate |
| Chemical name |
6-Chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide‒N,N-dimethylformamide (1/1) |
| Formula |
C10 H13 Cl N4 O5 S2 |
| Calculated formula |
C10 H13 Cl N4 O5 S2 |
| SMILES |
CN(C)C=O.S1(=O)(=O)c2cc(S(=O)(=O)N)c(Cl)cc2NC=N1 |
| Title of publication |
Powder study of chlorothiazide <i>N</i>,<i>N</i>-dimethylformamide solvate |
| Authors of publication |
Fernandes, Philippe; Florence, Alastair J.; Shankland, Kenneth; Shankland, Norman; Johnston, Andrea |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
6 |
| Pages of publication |
o2216 - o2218 |
| a |
7.9822 ± 0.0004 Å |
| b |
8.883 ± 0.0005 Å |
| c |
11.1075 ± 0.0006 Å |
| α |
86.689 ± 0.003° |
| β |
75.078 ± 0.003° |
| γ |
73.196 ± 0.003° |
| Cell volume |
728.41 ± 0.07 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Goodness-of-fit parameter for all reflections |
1.41 |
| Diffraction radiation wavelength |
1.54056 Å |
| Diffraction radiation type |
CuKα~1~ |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2209132.html
