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Information card for entry 2200441
Preview
| Coordinates | 2200441.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C11 H9 Cl N4 |
|---|---|
| Calculated formula | C11 H9 Cl N4 |
| SMILES | Clc1cc2n(N)c(nc2cc1)c1[nH]ccc1 |
| Title of publication | 1-Amino-6-chloro-2-(1<i>H</i>-pyrrol-2-yl)benzimidazole (RS 1350) |
| Authors of publication | Pifferi, Augusto; Camalli, Mercedes; Silvestri, Romano; De Martino, Gabriella; Massa, Silvio; Artico, Marino |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o819 - o821 |
| a | 10.065 ± 0.002 Å |
| b | 23.178 ± 0.004 Å |
| c | 9.077 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2117.5 ± 0.9 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections | 0.97 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.