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Information card for entry 2233295
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| Coordinates | 2233295.cif |
|---|---|
| Structure factors | 2233295.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4,6-Dichloro-2-{[(<i>E</i>)-(3-{[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol |
|---|---|
| Formula | C19 H18 Cl4 N2 O2 |
| Calculated formula | C19 H18 Cl4 N2 O2 |
| SMILES | Clc1cc(c(O)c(Cl)c1)/C=N/CC(C)(C)C/N=C/c1c(O)c(Cl)cc(Cl)c1 |
| Title of publication | 4,6-Dichloro-2-{[(<i>E</i>)-(3-{[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylidene]amino}-2,2-dimethylpropyl)imino]methyl}phenol |
| Authors of publication | Kargar, Hadi; Kia, Reza; Abbasian, Saeideh; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o142 |
| a | 16.5265 ± 0.0005 Å |
| b | 10.3242 ± 0.0003 Å |
| c | 12.6433 ± 0.0004 Å |
| α | 90° |
| β | 104.796 ± 0.001° |
| γ | 90° |
| Cell volume | 2085.71 ± 0.11 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233295.cif 2233295.hkl |
| 181254 | 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 2/23/32. |
2233295.cif 2233295.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. |
2233295.cif 2233295.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2233295.cif 2233295.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233295.cif 2233295.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. | 2233295.cif 2233295.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233295.cif 2233295.hkl |
| 32360 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233295 via cif-deposit CGI script. |
2233295.cif |
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Users of the data should acknowledge the original authors of the
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