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Information card for entry 2200758
Preview
| Coordinates | 2200758.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ethyl 6-nitro-2-phenylaminoimidazo[1,2-a]pyridine-3-carboxylate |
|---|---|
| Formula | C16 H14 N4 O4 |
| Calculated formula | C16 H14 N4 O4 |
| SMILES | O=N(=O)c1cn2c(c(nc2cc1)Nc1ccccc1)C(=O)OCC |
| Title of publication | Ethyl 6-nitro-2-phenylaminoimidazo[1,2-<i>a</i>]pyridine-3-carboxylate |
| Authors of publication | David W Jeffery; Rolf H Prager; Max R Taylor |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o980 - o982 |
| a | 7.868 ± 0.004 Å |
| b | 8.489 ± 0.004 Å |
| c | 12.281 ± 0.006 Å |
| α | 104.38 ± 0.01° |
| β | 92.3 ± 0.01° |
| γ | 110.07 ± 0.01° |
| Cell volume | 739.2 ± 0.6 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections | 1.01 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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