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Information card for entry 2238210
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| Coordinates | 2238210.cif |
|---|---|
| Structure factors | 2238210.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide |
|---|---|
| Formula | C23 H22 N2 O S |
| Calculated formula | C23 H22 N2 O S |
| SMILES | CCc1cccc(c1)NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 |
| Title of publication | <i>N</i>-[(3-Ethylphenyl)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 | 7 |
| Pages of publication | o1016 - o1017 |
| a | 10.0608 ± 0.0002 Å |
| b | 17.9092 ± 0.0005 Å |
| c | 10.8495 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1954.87 ± 0.09 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238210.cif 2238210.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. |
2238210.cif 2238210.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. |
2238210.cif 2238210.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238210.cif 2238210.hkl |
| 87463 | 2013-08-27 | cif/ Adding structures of 2238210 via cif-deposit CGI script. |
2238210.cif |
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Users of the data should acknowledge the original authors of the
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