Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7209818
Preview
Coordinates | 7209818.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide |
---|---|
Chemical name | 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide |
Formula | C14 H11 Cl N2 O4 S |
Calculated formula | C14 H11 Cl N2 O4 S |
SMILES | [C@]1(c2c(C(=O)N1)cccc2)(c1cc(c(cc1)Cl)S(=O)(=O)N)O |
Title of publication | The form II of the antihypertensive drug chlorthalidone |
Authors of publication | Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C. |
Journal of publication | CrystEngComm |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 19 |
Pages of publication | 3767 |
a | 8.1051 ± 0.0003 Å |
b | 7.1178 ± 0.0003 Å |
c | 12.2732 ± 0.0005 Å |
α | 90° |
β | 103.646 ± 0.004° |
γ | 90° |
Cell volume | 688.06 ± 0.05 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0306 |
Residual factor for significantly intense reflections | 0.028 |
Weighted residual factors for significantly intense reflections | 0.063 |
Weighted residual factors for all reflections included in the refinement | 0.0645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7209818.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.