Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2236847
Preview
| Coordinates | 2236847.cif |
|---|---|
| Structure factors | 2236847.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-<i>m</i>-tolylacetohydrazide |
|---|---|
| Formula | C17 H18 N2 O2 |
| Calculated formula | C17 H18 N2 O2 |
| SMILES | O=C(N/N=C/c1ccc(OC)cc1)Cc1cccc(c1)C |
| Title of publication | (<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)-2-<i>m</i>-tolylacetohydrazide |
| Authors of publication | Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3435 |
| a | 6.4961 ± 0.0008 Å |
| b | 9.8047 ± 0.001 Å |
| c | 12.7464 ± 0.0013 Å |
| α | 112.13 ± 0.009° |
| β | 95.507 ± 0.01° |
| γ | 96.601 ± 0.009° |
| Cell volume | 738.45 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0735 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2236847.cif 2236847.hkl |
| 201979 | 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. |
2236847.cif 2236847.hkl |
| 181290 | 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 2/23/68. |
2236847.cif 2236847.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. |
2236847.cif 2236847.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236847.cif 2236847.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. | 2236847.cif 2236847.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. |
2236847.cif 2236847.hkl |
| 71098 | 2013-01-18 | cif/ Adding structures of 2236847 via cif-deposit CGI script. |
2236847.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.