Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2225885
Preview
| Coordinates | 2225885.cif |
|---|---|
| Structure factors | 2225885.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)- 3-methylbenzohydrazide |
|---|---|
| Formula | C16 H15 N3 O6 |
| Calculated formula | C16 H15 N3 O6 |
| SMILES | Oc1c(cc(N(=O)=O)cc1OC)/C=N/NC(=O)c1c(O)c(ccc1)C |
| Title of publication | 2-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxy-5-nitrobenzylidene)-3-methylbenzohydrazide |
| Authors of publication | Han, You-Yue; Li, Yong-Hong; Zhao, Qiu-Rong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | o1084 |
| a | 7.482 ± 0.001 Å |
| b | 17.158 ± 0.001 Å |
| c | 12.25 ± 0.001 Å |
| α | 90° |
| β | 91.565 ± 0.001° |
| γ | 90° |
| Cell volume | 1572 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2225885.cif 2225885.hkl |
| 181179 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/58. |
2225885.cif 2225885.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225885.cif 2225885.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225885.cif 2225885.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. | 2225885.cif 2225885.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225885.cif 2225885.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225885.cif 2225885.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225885.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.