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Information card for entry 2006164
Preview
| Coordinates | 2006164.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-(n-butyl)-3,4-dibromomaleimide |
|---|---|
| Formula | C8 H9 Br2 N O2 |
| Calculated formula | C8 H9 Br2 N O2 |
| SMILES | BrC1=C(Br)C(=O)N(C1=O)CCCC |
| Title of publication | <i>N</i>-(<i>n</i>-Butyl)-3,4-dibromomaleimide |
| Authors of publication | Chen, Wei; Yang, Jia-xiang; Bai, Zhi-ping; Wang Zou-xiang; You Xiao-zeng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 631 - 633 |
| a | 7.405 ± 0.002 Å |
| b | 18.481 ± 0.002 Å |
| c | 8.1246 ± 0.0009 Å |
| α | 90° |
| β | 111.14 ± 0.01° |
| γ | 90° |
| Cell volume | 1037 ± 0.3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 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 | 0.0713 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections | 0.1095 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Goodness-of-fit parameter for all reflections | 1.092 |
| Goodness-of-fit parameter for significantly intense reflections | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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