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Information card for entry 2230284
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| Coordinates | 2230284.cif |
|---|---|
| Structure factors | 2230284.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl 2-{[(5-oxo-5<i>H</i>-thiochromeno[2,3-<i>b</i>]pyridin-7- yl)amino]methylidene}propanedioate |
|---|---|
| Formula | C20 H18 N2 O5 S |
| Calculated formula | C20 H18 N2 O5 S |
| SMILES | CCOC(=O)C(=CNc1ccc2c(c1)C(=O)c1c(S2)nccc1)C(=O)OCC |
| Title of publication | Diethyl 2-{[(5-oxo-5<i>H</i>-thiochromeno[2,3-<i>b</i>]pyridin-7-yl)amino]methylidene}propanedioate |
| Authors of publication | Khan, Muhammad Naeem; Tahir, M. Nawaz; Khan, Misbahul Ain; Munawar, Munawar Ali; Ather, Abdul Qayyum |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1348 |
| a | 13.8013 ± 0.0007 Å |
| b | 7.518 ± 0.0003 Å |
| c | 36.2743 ± 0.0015 Å |
| α | 90° |
| β | 94.33 ± 0.003° |
| γ | 90° |
| Cell volume | 3753 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.125 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230284.cif 2230284.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. |
2230284.cif 2230284.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230284.cif 2230284.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. | 2230284.cif 2230284.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230284.cif 2230284.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230284.cif 2230284.hkl |
| 22255 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230284 via cif-deposit CGI script. |
2230284.cif |
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Users of the data should acknowledge the original authors of the
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