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Information card for entry 2237868
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| Coordinates | 2237868.cif |
|---|---|
| Structure factors | 2237868.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide |
|---|---|
| Formula | C25 H26 N2 O S |
| Calculated formula | C25 H26 N2 O S |
| SMILES | CCc1cccc(c1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1)CC |
| Title of publication | <i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide |
| Authors of publication | Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o967 |
| a | 8.0091 ± 0.0001 Å |
| b | 11.7289 ± 0.0002 Å |
| c | 11.8923 ± 0.0002 Å |
| α | 79.008 ± 0.001° |
| β | 80.628 ± 0.001° |
| γ | 83.936 ± 0.001° |
| Cell volume | 1078.79 ± 0.03 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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. |
2237868.cif 2237868.hkl |
| 181300 | 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 2/23/78. |
2237868.cif 2237868.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. |
2237868.cif 2237868.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237868.cif 2237868.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237868.cif 2237868.hkl |
| 86548 | 2013-07-11 | cif/ Adding structures of 2237868 via cif-deposit CGI script. |
2237868.cif |
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Users of the data should acknowledge the original authors of the
structural data.