Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238453
Preview
| Coordinates | 2238453.cif |
|---|---|
| Structure factors | 2238453.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate |
|---|---|
| Formula | C16 H12 N2 O |
| Calculated formula | C16 H12 N2 O |
| SMILES | O=C1C=Cc2c(/C1=N/Nc1ccccc1)cccc2 |
| Title of publication | (<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate |
| Authors of publication | Bougueria, Hassiba; Chetioui, Souheyla; Boudraa, Issam; el kader Bouchoul, Abd; Bouaoud, Salah Eddine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1335 - o1336 |
| a | 13.08 ± 0.0012 Å |
| b | 13.517 ± 0.0013 Å |
| c | 7.008 ± 0.0004 Å |
| α | 90° |
| β | 94.14 ± 0.006° |
| γ | 90° |
| Cell volume | 1235.8 ± 0.18 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.076 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (current) | 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 2/23/84. |
2238453.cif 2238453.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2238453.cif 2238453.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238453.cif 2238453.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238453.cif 2238453.hkl |
| 88316 | 2013-09-04 | cif/ Adding structures of 2238453 via cif-deposit CGI script. |
2238453.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.