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Information card for entry 2235141
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| Coordinates | 2235141.cif |
|---|---|
| Structure factors | 2235141.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-Dichloro-6-({2-[(3,5-dichloro-2- hydroxybenzylidene)amino]ethyl}iminomethyl)phenol |
|---|---|
| Formula | C16 H12 Cl4 N2 O2 |
| Calculated formula | C16 H12 Cl4 N2 O2 |
| SMILES | Clc1cc(/C=N/CC/N=C/c2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O |
| Title of publication | 2,4-Dichloro-6-({2-[(3,5-dichloro-2-hydroxybenzylidene)amino]ethyl}iminomethyl)phenol |
| Authors of publication | Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Gilles, Bouet; Magali, Allain |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1700 |
| a | 7.529 ± 0.001 Å |
| b | 10.718 ± 0.002 Å |
| c | 10.759 ± 0.002 Å |
| α | 90° |
| β | 101.4 ± 0.02° |
| γ | 90° |
| Cell volume | 851.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0806 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181273 (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 2/23/51. |
2235141.cif 2235141.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. |
2235141.cif 2235141.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235141.cif 2235141.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. | 2235141.cif 2235141.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235141.cif 2235141.hkl |
| 61818 | 2012-07-05 | cif/ Adding structures of 2235141 via cif-deposit CGI script. |
2235141.cif |
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Users of the data should acknowledge the original authors of the
structural data.