Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241296
Preview
Coordinates | 2241296.cif |
---|---|
Structure factors | 2241296.hkl |
Original IUCr paper | HTML |
Chemical name | (5<i>Z</i>)-5-(5-Bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione |
---|---|
Formula | C10 H6 Br N O3 S |
Calculated formula | C10 H6 Br N O3 S |
SMILES | Brc1ccc(O)c(c1)/C=C/1SC(=O)NC1=O |
Title of publication | Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione |
Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 12 |
Pages of publication | o919 - o920 |
a | 7.068 ± 0.0007 Å |
b | 7.677 ± 0.0008 Å |
c | 9.9977 ± 0.001 Å |
α | 68.119 ± 0.002° |
β | 86.049 ± 0.001° |
γ | 83.658 ± 0.001° |
Cell volume | 500.1 ± 0.09 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 | 0.0407 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241296.cif 2241296.hkl |
170178 | 2015-11-07 | cif/ hkl/ Adding structures of 2241296 via cif-deposit CGI script. |
2241296.cif 2241296.hkl |
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.