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Information card for entry 2203714
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| Coordinates | 2203714.cif |
|---|---|
| Structure factors | 2203714.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 3-methyl-5-nitro-1H-imidazole-2-carboxylate |
|---|---|
| Formula | C7 H9 N3 O4 |
| Calculated formula | C7 H9 N3 O4 |
| Title of publication | Ethyl 3-methyl-5-nitro-1<i>H</i>-imidazole-2-carboxylate |
| Authors of publication | Wu, Hai-Qiang; An, Lin-Kun; Huang, Zhi-Shu; Gu, Lian-Quan; Zain, Sharifuddin M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 6 |
| Pages of publication | o994 - o995 |
| a | 8.94 ± 0.001 Å |
| b | 6.768 ± 0.001 Å |
| c | 15.028 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 909.3 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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