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Information card for entry 2237564
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| Coordinates | 2237564.cif |
|---|---|
| Structure factors | 2237564.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>-(4-Bromophenyl)acetamide |
|---|---|
| Formula | C8 H8 Br N O |
| Calculated formula | C8 H8 Br N O |
| SMILES | Brc1ccc(NC(=O)C)cc1 |
| Title of publication | <i>N</i>-(4-Bromophenyl)acetamide: a new polymorph |
| Authors of publication | Jasinski, Jerry P.; Guild, Curtis J.; Yathirajan, H. S.; Narayana, B.; Samshuddin, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o461 |
| a | 6.725 ± 0.0007 Å |
| b | 9.3876 ± 0.0011 Å |
| c | 14.4434 ± 0.0014 Å |
| α | 90° |
| β | 117.75 ± 0.004° |
| γ | 90° |
| Cell volume | 806.96 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2237564.cif 2237564.hkl |
| 181297 | 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 2/23/75. |
2237564.cif 2237564.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. |
2237564.cif 2237564.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237564.cif 2237564.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237564.cif 2237564.hkl |
| 78865 | 2013-04-02 | cif/ Adding structures of 2237564 via cif-deposit CGI script. |
2237564.cif |
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Users of the data should acknowledge the original authors of the
structural data.