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Information card for entry 2231346
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| Coordinates | 2231346.cif |
|---|---|
| Structure factors | 2231346.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(3-methylphenyl)succinamide |
|---|---|
| Formula | C17 H17 Cl N2 O2 |
| Calculated formula | C17 H17 Cl N2 O2 |
| SMILES | O=C(Nc1cccc(c1)Cl)CCC(=O)Nc1cccc(c1)C |
| Title of publication | <i>N</i>-(3-Chlorophenyl)-<i>N</i>'-(3-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 | 8 |
| Pages of publication | o2077 |
| a | 4.84 ± 0.001 Å |
| b | 5.56 ± 0.001 Å |
| c | 14.752 ± 0.003 Å |
| α | 93.47 ± 0.02° |
| β | 91.39 ± 0.02° |
| γ | 97.71 ± 0.02° |
| Cell volume | 392.46 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231346.cif 2231346.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. |
2231346.cif 2231346.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231346.cif 2231346.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. | 2231346.cif 2231346.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231346.cif 2231346.hkl |
| 27263 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231346 via cif-deposit CGI script. |
2231346.cif |
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Users of the data should acknowledge the original authors of the
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