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Information card for entry 2227873
Preview
| Coordinates | 2227873.cif |
|---|---|
| Structure factors | 2227873.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-Phenylacetic acid–(<i>E</i>,<i>E</i>)-4,4'-(hydrazinediylidene)dipyridine (2/1) |
|---|---|
| Formula | C28 H26 N4 O4 |
| Calculated formula | C28 H26 N4 O4 |
| SMILES | n1ccc(cc1)/C=N/N=C/c1ccncc1.OC(=O)Cc1ccccc1.OC(=O)Cc1ccccc1 |
| Title of publication | 2-Phenylacetic acid–(<i>E</i>,<i>E</i>)-4,4'-(hydrazinediylidene)dipyridine (2/1) |
| Authors of publication | Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | o2629 |
| a | 11.677 ± 0.007 Å |
| b | 4.425 ± 0.002 Å |
| c | 23.587 ± 0.013 Å |
| α | 90° |
| β | 95.475 ± 0.008° |
| γ | 90° |
| Cell volume | 1213.2 ± 1.1 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.084 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227873.cif 2227873.hkl |
| 181199 | 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 2/22/78. |
2227873.cif 2227873.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2227873.cif 2227873.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227873.cif 2227873.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. | 2227873.cif 2227873.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227873.cif 2227873.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227873.cif 2227873.hkl |
| 4910 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227873 via cif-deposit CGI script. |
2227873.cif |
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Users of the data should acknowledge the original authors of the
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