Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236223
Preview
| Coordinates | 2236223.cif |
|---|---|
| Structure factors | 2236223.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 8-quinolinesulfonamide |
|---|---|
| Chemical name | Quinoline-8-sulfonamide |
| Formula | C9 H8 N2 O2 S |
| Calculated formula | C9 H8 N2 O2 S |
| SMILES | S(=O)(=O)(N)c1cccc2cccnc12 |
| Title of publication | Quinoline-8-sulfonamide |
| Authors of publication | Marciniec, Krzysztof; Maślankiewicz, Andrzej; Nowak, Maria; Kusz, Joachim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o2826 |
| a | 8.9431 ± 0.0003 Å |
| b | 10.4542 ± 0.0002 Å |
| c | 10.4648 ± 0.0002 Å |
| α | 90° |
| β | 109.313 ± 0.002° |
| γ | 90° |
| Cell volume | 923.33 ± 0.04 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236223.cif 2236223.hkl |
| 181284 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/62. |
2236223.cif 2236223.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236223.cif 2236223.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236223.cif 2236223.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236223.cif 2236223.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236223.cif 2236223.hkl |
| 69792 | 2012-12-21 | cif/ Adding structures of 2236223 via cif-deposit CGI script. |
2236223.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.