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Information card for entry 2204199
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| Coordinates | 2204199.cif |
|---|---|
| Structure factors | 2204199.hkl |
| Original IUCr paper | HTML |
| Common name | naphthimidazole |
|---|---|
| Chemical name | 1H–napth[2,3-d]imidazole |
| Formula | C11 H8 N2 |
| Calculated formula | C11 H8 N2 |
| SMILES | [nH]1c2c(nc1)cc1ccccc1c2 |
| Title of publication | Hydrogen bonding in 1<i>H</i>-naphth[2,3-<i>d</i>]imidazole |
| Authors of publication | Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | o1648 - o1651 |
| a | 9.4503 ± 0.0006 Å |
| b | 16.3882 ± 0.0008 Å |
| c | 11.477 ± 0.0009 Å |
| α | 90° |
| β | 110.502 ± 0.004° |
| γ | 90° |
| Cell volume | 1664.9 ± 0.19 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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