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Information card for entry 2233762
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| Coordinates | 2233762.cif |
|---|---|
| Structure factors | 2233762.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide) |
|---|---|
| Chemical name | 2-bromo-<i>N</i>-[4-(2-bromo-2-methylpropanamido)phenyl]-2-methylpropanamide |
| Formula | C14 H18 Br2 N2 O2 |
| Calculated formula | C14 H18 Br2 N2 O2 |
| SMILES | O=C(C(Br)(C)C)Nc1ccc(cc1)NC(=O)C(Br)(C)C |
| Title of publication | <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide) |
| Authors of publication | Haridharan, N.; Ramkumar, V.; Dhamodharan, R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o811 |
| a | 13.834 ± 0.003 Å |
| b | 6.4746 ± 0.0013 Å |
| c | 9.4642 ± 0.0018 Å |
| α | 90° |
| β | 103.807 ± 0.009° |
| γ | 90° |
| Cell volume | 823.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.2336 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233762.cif 2233762.hkl |
| 181259 | 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 2/23/37. |
2233762.cif 2233762.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. |
2233762.cif 2233762.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233762.cif 2233762.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. | 2233762.cif 2233762.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233762.cif 2233762.hkl |
| 51009 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233762 via cif-deposit CGI script. |
2233762.cif |
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Users of the data should acknowledge the original authors of the
structural data.