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Information card for entry 2233149
Preview
| Coordinates | 2233149.cif |
|---|---|
| Structure factors | 2233149.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,2-Bis(3-phenoxybenzylidene)hydrazine |
|---|---|
| Formula | C26 H20 N2 O2 |
| Calculated formula | C26 H20 N2 O2 |
| SMILES | c1ccc(cc1)Oc1cccc(c1)/C=N/N=C/c1cccc(c1)Oc1ccccc1 |
| Title of publication | 1,2-Bis(3-phenoxybenzylidene)hydrazine |
| Authors of publication | Jasinski, Jerry P.; Golen, James A.; Praveen, A. S.; Narayana, B.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o81 |
| a | 23.6271 ± 0.0016 Å |
| b | 11.2942 ± 0.0006 Å |
| c | 8.2359 ± 0.0007 Å |
| α | 90° |
| β | 109.538 ± 0.008° |
| γ | 90° |
| Cell volume | 2071.2 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2233149.cif 2233149.hkl |
| 181253 | 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 2/23/31. |
2233149.cif 2233149.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. |
2233149.cif 2233149.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233149.cif 2233149.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. | 2233149.cif 2233149.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233149.cif 2233149.hkl |
| 32208 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233149 via cif-deposit CGI script. |
2233149.cif |
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Users of the data should acknowledge the original authors of the
structural data.