Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4511765
Preview
| Coordinates | 4511765.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N3 O3 S2 |
|---|---|
| Calculated formula | C19 H17 N3 O3 S2 |
| SMILES | S(=O)(=O)(c1ccc(N)cc1)c1ccc(N)cc1.S1C(=O)Nc2ccccc12 |
| Title of publication | Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals |
| Authors of publication | Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4562 |
| a | 5.8452 ± 0.0004 Å |
| b | 14.3835 ± 0.0009 Å |
| c | 21.7712 ± 0.0013 Å |
| α | 90° |
| β | 92.205 ± 0.003° |
| γ | 90° |
| Cell volume | 1829 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.262 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179664 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/17. |
4511765.cif |
| 122869 | 2014-09-06 | cif/ Updating files of 4511765, 4511766, 4511767, 4511768, 4511769, 4511770 Original log message: Adding full bibliography for 4511765--4511770.cif. |
4511765.cif |
| 122238 | 2014-08-20 | cif/ Adding structures of 4511765 via cif-deposit CGI script. |
4511765.cif |
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.