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Information card for entry 2239129
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| Coordinates | 2239129.cif |
|---|---|
| Structure factors | 2239129.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine |
|---|---|
| Formula | C15 H14 N4 O6 |
| Calculated formula | C15 H14 N4 O6 |
| SMILES | O=N(=O)c1c(N/N=C/c2cc(OCC)c(O)cc2)ccc(N(=O)=O)c1 |
| Title of publication | (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazine |
| Authors of publication | Fun, Hoong-Kun; Chantrapromma, Suchada; Ruanwas, Pumsak; Kobkeatthawin, Thawanrat; Chidan Kumar, C. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o89 - o90 |
| a | 10.245 ± 0.004 Å |
| b | 13.679 ± 0.005 Å |
| c | 14.184 ± 0.005 Å |
| α | 90° |
| β | 129.15 ± 0.02° |
| γ | 90° |
| Cell volume | 1541.5 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239129.cif 2239129.hkl |
| 181310 | 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 2/23/91. |
2239129.cif 2239129.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. |
2239129.cif 2239129.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2239129.cif 2239129.hkl |
| 105018 | 2014-03-11 | cif/ hkl/ Adding structures of 2239129 via cif-deposit CGI script. |
2239129.cif 2239129.hkl |
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Users of the data should acknowledge the original authors of the
structural data.