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Information card for entry 2237313
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| Coordinates | 2237313.cif |
|---|---|
| Structure factors | 2237313.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒ pyrrolidine-2,5-dione (1/1) |
|---|---|
| Formula | C16 H16 Br2 N4 O3 |
| Calculated formula | C16 H16 Br2 N4 O3 |
| SMILES | O=C1CCC(=O)N1.CC(=O)Nc1ccc2c(n1)nc(cc2C)C(Br)Br |
| Title of publication | <i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒pyrrolidine-2,5-dione (1/1) |
| Authors of publication | Gou, Gao-Zhang; Kou, Jun-Feng; Zhou, Qing-Di; Chi, Shao-Ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o153 - o154 |
| a | 11.537 ± 0.002 Å |
| b | 7.0093 ± 0.0014 Å |
| c | 11.632 ± 0.002 Å |
| α | 90° |
| β | 106.57 ± 0.03° |
| γ | 90° |
| Cell volume | 901.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| 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. |
2237313.cif 2237313.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. |
2237313.cif 2237313.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. | 2237313.cif 2237313.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237313.cif 2237313.hkl |
| 75320 | 2013-03-09 | cif/ Adding structures of 2237313 via cif-deposit CGI script. |
2237313.cif |
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Users of the data should acknowledge the original authors of the
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