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Information card for entry 2228410
Preview
| Coordinates | 2228410.cif |
|---|---|
| Structure factors | 2228410.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2,4-Dichloro-6-{1-[(2-chloroethyl)imino]ethyl}phenol |
|---|---|
| Formula | C10 H10 Cl3 N O |
| Calculated formula | C10 H10 Cl3 N O |
| SMILES | ClCC/N=C(/c1cc(Cl)cc(c1O)Cl)C |
| Title of publication | (<i>E</i>)-2,4-Dichloro-6-{1-[(2-chloroethyl)imino]ethyl}phenol |
| Authors of publication | Xie, Yong-Sheng; Dong, Wen-Liang; He, Li-Ping; Zhang, Xin-Ling; Zhao, Bao-Xiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3106 |
| a | 14.571 ± 0.0002 Å |
| b | 10.2323 ± 0.0002 Å |
| c | 7.7384 ± 0.0001 Å |
| α | 90° |
| β | 94.376 ± 0.001° |
| γ | 90° |
| Cell volume | 1150.39 ± 0.03 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228410.cif 2228410.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228410.cif 2228410.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228410.cif 2228410.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. | 2228410.cif 2228410.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228410.cif 2228410.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228410.cif 2228410.hkl |
| 5784 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228402, 2228403, 2228404, 2228405, 2228406, 2228407, 2228408, 2228409, 2228410, 2228411 via cif-deposit CGI script. |
2228410.cif |
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Users of the data should acknowledge the original authors of the
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