Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239466
Preview
| Coordinates | 2239466.cif |
|---|---|
| Structure factors | 2239466.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-\ methylbenzenesulfonamide |
|---|---|
| Formula | C23 H22 N2 O2 S |
| Calculated formula | C23 H22 N2 O2 S |
| SMILES | S(=O)(=O)(N[C@@H]1C2c3ccccc3C(c3ccccc23)[C@@H]1N)c1ccc(cc1)C |
| Title of publication | <i>N</i>-(12-Amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide |
| Authors of publication | Mague, Joel T.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; El-Sherbeny, Magda A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o248 - o249 |
| a | 8.9362 ± 0.0002 Å |
| b | 6.8766 ± 0.0002 Å |
| c | 15.5039 ± 0.0004 Å |
| α | 90° |
| β | 91.54 ± 0.001° |
| γ | 90° |
| Cell volume | 952.38 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239466.cif 2239466.hkl |
| 181313 | 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 2/23/94. |
2239466.cif 2239466.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. |
2239466.cif 2239466.hkl |
| 110749 | 2014-04-19 | cif/ hkl/ Adding structures of 2239466 via cif-deposit CGI script. |
2239466.cif 2239466.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.