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Information card for entry 2234760
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| Coordinates | 2234760.cif |
|---|---|
| Structure factors | 2234760.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>,<i>E</i>)-<i>N</i>'-{4-[(2-Benzoylhydrazin-1- ylidene)methyl]benzylidene}benzohydrazide |
|---|---|
| Formula | C22 H18 N4 O2 |
| Calculated formula | C22 H18 N4 O2 |
| SMILES | O=C(c1ccccc1)N/N=C/c1ccc(cc1)/C=N/NC(=O)c1ccccc1 |
| Title of publication | (<i>E</i>,<i>E</i>)-<i>N</i>'-{4-[(2-Benzoylhydrazin-1-ylidene)methyl]benzylidene}benzohydrazide |
| Authors of publication | Karimian, Ramin; Hosseini-Monfared, Hassan; Bikas, Rahman; Arslan, N. Burcu; Kazak, Canan; Koroglu, Ahmet |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | o1433 |
| a | 30.569 ± 0.003 Å |
| b | 5.1845 ± 0.0003 Å |
| c | 12.5191 ± 0.0011 Å |
| α | 90° |
| β | 112.408 ± 0.007° |
| γ | 90° |
| Cell volume | 1834.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1305 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| 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. |
2234760.cif 2234760.hkl |
| 181269 | 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 2/23/47. |
2234760.cif 2234760.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. |
2234760.cif 2234760.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234760.cif 2234760.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. | 2234760.cif 2234760.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234760.cif 2234760.hkl |
| 60260 | 2012-06-14 | cif/ Adding structures of 2234760 via cif-deposit CGI script. |
2234760.cif |
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Users of the data should acknowledge the original authors of the
structural data.