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Information card for entry 2012594
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| Coordinates | 2012594.cif |
|---|---|
| Structure factors | 2012594.hkl |
| Original IUCr paper | HTML |
| Common name | monlow |
|---|---|
| Formula | C9 H12 N2 O |
| Calculated formula | C9 H12 N2 O |
| SMILES | O=c1n(c2c(nc1)CCCC2)C |
| Title of publication | 1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one |
| Authors of publication | Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | o148 - o150 |
| a | 6.791 ± 0.001 Å |
| b | 11.17 ± 0.002 Å |
| c | 11.246 ± 0.002 Å |
| α | 93.75 ± 0.03° |
| β | 97.13 ± 0.03° |
| γ | 102.56 ± 0.02° |
| Cell volume | 822.4 ± 0.3 Å3 |
| Cell temperature | 140 K |
| Ambient diffraction temperature | 293 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 | 0.1277 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
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