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Information card for entry 2237237
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| Coordinates | 2237237.cif |
|---|---|
| Structure factors | 2237237.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide |
|---|---|
| Formula | C19 H15 N3 O2 |
| Calculated formula | C19 H15 N3 O2 |
| SMILES | O=C(c1ccccc1)Nc1cccc(n1)NC(=O)c1ccccc1 |
| Title of publication | <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide |
| Authors of publication | Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o102 |
| a | 5.0314 ± 0.0001 Å |
| b | 5.0314 ± 0.0001 Å |
| c | 58.701 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1486.01 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (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 2/23/72. |
2237237.cif 2237237.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. |
2237237.cif 2237237.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237237.cif 2237237.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. | 2237237.cif 2237237.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237237.cif 2237237.hkl |
| 73466 | 2013-02-20 | cif/ Adding structures of 2237237 via cif-deposit CGI script. |
2237237.cif |
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Users of the data should acknowledge the original authors of the
structural data.