Information card for entry 2208938
Common name |
hydrochlorothiazide N,N-dimethylformamide solvate |
Chemical name |
6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide dimethylformamide solvate |
Formula |
C10 H15 Cl N4 O5 S2 |
Calculated formula |
C10 H15 Cl N4 O5 S2 |
SMILES |
Clc1c(S(=O)(=O)N)cc2S(=O)(=O)NCNc2c1.O=CN(C)C |
Title of publication |
Hydrochlorothiazide <i>N</i>,<i>N</i>-dimethylformamide solvate |
Authors of publication |
Johnston, Andrea; Florence, Alastair J.; Kennedy, Alan R. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
5 |
Pages of publication |
o1730 - o1732 |
a |
7.3028 ± 0.0002 Å |
b |
9.1492 ± 0.0002 Å |
c |
23.6989 ± 0.0006 Å |
α |
86.194 ± 0.001° |
β |
89.841 ± 0.001° |
γ |
72.855 ± 0.001° |
Cell volume |
1509.5 ± 0.07 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
6 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0413 |
Residual factor for significantly intense reflections |
0.0398 |
Weighted residual factors for significantly intense reflections |
0.1051 |
Weighted residual factors for all reflections included in the refinement |
0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation wavelength |
0.8466 Å |
Diffraction radiation type |
synchrotron |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2208938.html