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Information card for entry 2008559
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| Coordinates | 2008559.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C2 H4 N4 |
|---|---|
| Calculated formula | C2 H4 N4 |
| SMILES | [nH]1c(C)nnn1 |
| Title of publication | 5-Methyl-1<i>H</i>-tetrazole |
| Authors of publication | Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Takehiro Matsunaga |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 1014 - 1016 |
| a | 4.586 ± 0.002 Å |
| b | 12.843 ± 0.004 Å |
| c | 9.767 ± 0.001 Å |
| α | 90° |
| β | 133.98 ± 0.02° |
| γ | 90° |
| Cell volume | 413.9 ± 0.3 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.859 |
| Diffraction radiation wavelength | 0.7107 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.