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Information card for entry 2232078
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| Coordinates | 2232078.cif |
|---|---|
| Structure factors | 2232078.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide |
|---|---|
| Formula | C17 H17 Cl N2 O2 |
| Calculated formula | C17 H17 Cl N2 O2 |
| SMILES | O=C(Nc1ccccc1C)CCC(=O)Nc1ccccc1C |
| Title of publication | <i>N</i>-(2-Chlorophenyl)-<i>N</i>'-(2-methylphenyl)succinamide |
| Authors of publication | Saraswathi, B. S.; Foro, Sabine; Gowda, B. Thimme |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2579 |
| a | 11.541 ± 0.003 Å |
| b | 7.908 ± 0.002 Å |
| c | 8.798 ± 0.002 Å |
| α | 90° |
| β | 102.55 ± 0.02° |
| γ | 90° |
| Cell volume | 783.8 ± 0.3 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 | 0.1813 |
| Residual factor for significantly intense reflections | 0.1046 |
| Weighted residual factors for significantly intense reflections | 0.1404 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.281 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232078.cif 2232078.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. |
2232078.cif 2232078.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232078.cif 2232078.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. | 2232078.cif 2232078.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232078.cif 2232078.hkl |
| 29372 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232078 via cif-deposit CGI script. |
2232078.cif |
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Users of the data should acknowledge the original authors of the
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