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Information card for entry 2240286
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| Coordinates | 2240286.cif |
|---|---|
| Structure factors | 2240286.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[2-((1<i>E</i>)-{(1<i>E</i>)-2-[2-(2-ethoxy-2-oxoethoxy)benzylidene]hydrazin-1-ylidene}methyl)phenoxy]acetate |
|---|---|
| Formula | C22 H24 N2 O6 |
| Calculated formula | C22 H24 N2 O6 |
| SMILES | c1(c(cccc1)C=NN=Cc1c(cccc1)OCC(=O)OCC)OCC(=O)OCC |
| Title of publication | Crystal structure of ethyl 2-[2-((1<i>E</i>)-{(1<i>E</i>)-2-[2-(2-ethoxy-2-oxoethoxy)benzylidene]hydrazin-1-ylidene}methyl)phenoxy]acetate |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Omran, Omran A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o16 |
| a | 18.2073 ± 0.0005 Å |
| b | 11.7758 ± 0.0003 Å |
| c | 9.995 ± 0.0003 Å |
| α | 90° |
| β | 93.226 ± 0.001° |
| γ | 90° |
| Cell volume | 2139.59 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240286.cif 2240286.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240286.cif 2240286.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240286.cif 2240286.hkl |
| 128717 | 2014-12-14 | cif/ hkl/ Adding structures of 2240286 via cif-deposit CGI script. |
2240286.cif 2240286.hkl |
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Users of the data should acknowledge the original authors of the
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