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Information card for entry 2231449
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| Coordinates | 2231449.cif |
|---|---|
| Structure factors | 2231449.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one |
|---|---|
| Chemical name | 1-Benzyl-3-(4-methylphenylsulfonyl)-2,5-diphenylimidazolidin-4-one |
| Formula | C29 H26 N2 O3 S |
| Calculated formula | C29 H26 N2 O3 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H](C1=O)c1ccccc1.Cc1ccc(cc1)S(=O)(=O)N1[C@@H](c2ccccc2)N(Cc2ccccc2)[C@H](C1=O)c1ccccc1 |
| Title of publication | 1-Benzyl-2,5-diphenyl-3-tosylimidazolidin-4-one |
| Authors of publication | Sakthimurugesan, K.; Ranjith, S.; SubbiahPandi, A.; Namitharan, K.; Pitchumani, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2359 |
| a | 18.6024 ± 0.0007 Å |
| b | 8.0489 ± 0.0003 Å |
| c | 17.086 ± 0.0006 Å |
| α | 90° |
| β | 106.426 ± 0.002° |
| γ | 90° |
| Cell volume | 2453.85 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0578 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 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. |
2231449.cif 2231449.hkl |
| 181236 | 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 2/23/14. |
2231449.cif 2231449.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. |
2231449.cif 2231449.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231449.cif 2231449.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. | 2231449.cif 2231449.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231449.cif 2231449.hkl |
| 27574 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231449 via cif-deposit CGI script. |
2231449.cif |
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Users of the data should acknowledge the original authors of the
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