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Information card for entry 1543128
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| Coordinates | 1543128.cif |
|---|---|
| Structure factors | 1543128.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate |
|---|---|
| Formula | C8 H11 N3 O4 |
| Calculated formula | C8 H11 N3 O4 |
| SMILES | c1(cn(c(C)n1)CC(=O)OCC)N(=O)=O |
| Title of publication | Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate |
| Authors of publication | Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160588 |
| a | 4.4793 ± 0.0002 Å |
| b | 10.3596 ± 0.0005 Å |
| c | 21.5724 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1001.04 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182161 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543128 via cif-deposit CGI script. |
1543128.cif 1543128.hkl |
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Users of the data should acknowledge the original authors of the
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