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Information card for entry 2237362
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| Coordinates | 2237362.cif |
|---|---|
| Structure factors | 2237362.hkl |
| Original IUCr paper | HTML |
| Common name | 1,2-Ethanediylbis(2-hydroxybenzamide) |
|---|---|
| Chemical name | 2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dibenzamide |
| Formula | C16 H16 N2 O4 |
| Calculated formula | C16 H16 N2 O4 |
| SMILES | O=C(c1ccccc1O)NCCNC(=O)c1ccccc1O |
| Title of publication | 2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dibenzamide |
| Authors of publication | da Costa, Daniel Pereira; Nobre, Sabrina Madruga; Lisboa, Bruna Gonçalves; de Vicenti, Juliano Rosa; Back, Davi Fernando |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o201 |
| a | 4.6311 ± 0.0003 Å |
| b | 5.0435 ± 0.0003 Å |
| c | 15.2957 ± 0.0009 Å |
| α | 89.091 ± 0.004° |
| β | 83.315 ± 0.004° |
| γ | 85.956 ± 0.004° |
| Cell volume | 353.94 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237362.cif 2237362.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. |
2237362.cif 2237362.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. | 2237362.cif 2237362.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237362.cif 2237362.hkl |
| 75378 | 2013-03-09 | cif/ Adding structures of 2237362 via cif-deposit CGI script. |
2237362.cif |
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Users of the data should acknowledge the original authors of the
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