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Information card for entry 1543087
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| Coordinates | 1543087.cif |
|---|---|
| Structure factors | 1543087.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Ethyl-5-nitro-1<i>H</i>-indazole |
|---|---|
| Formula | C9 H9 N3 O2 |
| Calculated formula | C9 H9 N3 O2 |
| SMILES | O=N(=O)c1cc2cnn(c2cc1)CC |
| Title of publication | 1-Ethyl-5-nitro-1<i>H</i>-indazole |
| Authors of publication | Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160567 |
| a | 6.7563 ± 0.0001 Å |
| b | 11.2307 ± 0.0002 Å |
| c | 11.7323 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 890.22 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182048 (current) | 2016-04-13 | cif/ hkl/ Adding structures of 1543087 via cif-deposit CGI script. |
1543087.cif 1543087.hkl |
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