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Information card for entry 2238324
Preview
| Coordinates | 2238324.cif |
|---|---|
| Structure factors | 2238324.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol |
|---|---|
| Formula | C24 H25 Cl N2 O2 |
| Calculated formula | C24 H25 Cl N2 O2 |
| SMILES | Clc1c(cccc1)[C@@H]1N(Cc2c(O)cccc2)[C@@H](CN1Cc1c(O)cccc1)C.Clc1c(cccc1)[C@H]1N(Cc2c(O)cccc2)[C@H](CN1Cc1c(O)cccc1)C |
| Title of publication | 2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol |
| Authors of publication | Rivera, Augusto; Cárdenas, Lorena; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1221 - o1222 |
| a | 7.0281 ± 0.0002 Å |
| b | 9.7903 ± 0.0003 Å |
| c | 30.3813 ± 0.0006 Å |
| α | 90° |
| β | 94.168 ± 0.002° |
| γ | 90° |
| Cell volume | 2084.92 ± 0.1 Å3 |
| Cell temperature | 119.8 ± 0.6 K |
| Ambient diffraction temperature | 119.8 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.66 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238324.cif 2238324.hkl |
| 181305 | 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 2/23/83. |
2238324.cif 2238324.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2238324.cif 2238324.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238324.cif 2238324.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238324.cif 2238324.hkl |
| 88157 | 2013-09-04 | cif/ Adding structures of 2238324 via cif-deposit CGI script. |
2238324.cif |
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Users of the data should acknowledge the original authors of the
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