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Information card for entry 2233897
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| Coordinates | 2233897.cif |
|---|---|
| Structure factors | 2233897.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine |
|---|---|
| Formula | C16 H14 N4 O4 |
| Calculated formula | C16 H14 N4 O4 |
| SMILES | c1ccc(cc1/C(C)=N/N=C(/c1cccc(c1)N(=O)=O)C)N(=O)=O |
| Title of publication | (1<i>E</i>,2<i>E</i>)-1,2-Bis[1-(3-nitrophenyl)ethylidene]hydrazine |
| Authors of publication | Asik, Safra Izuani Jama; Fun, Hoong-Kun; Razak, Ibrahim Abdul; Jansrisewangwong, Patcharaporn; Chantraproma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o643 |
| a | 3.9296 ± 0.0003 Å |
| b | 7.4448 ± 0.0005 Å |
| c | 26.3979 ± 0.0019 Å |
| α | 90° |
| β | 94.022 ± 0.001° |
| γ | 90° |
| Cell volume | 770.37 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0632 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (current) | 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 2/23/38. |
2233897.cif 2233897.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. |
2233897.cif 2233897.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233897.cif 2233897.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. | 2233897.cif 2233897.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233897.cif 2233897.hkl |
| 51149 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233897 via cif-deposit CGI script. |
2233897.cif |
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Users of the data should acknowledge the original authors of the
structural data.