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Information card for entry 2241485
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| Coordinates | 2241485.cif |
|---|---|
| Structure factors | 2241485.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-(5-Amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol |
|---|---|
| Formula | C5 H11 N5 O |
| Calculated formula | C5 H11 N5 O |
| SMILES | OC(Cn1nc(N)nn1)(C)C |
| Title of publication | Crystal structure of 1-(5-amino-2<i>H</i>-tetrazol-2-yl)-2-methylpropan-2-ol |
| Authors of publication | Park, Hyun Sik; Ryu, Ji Yeon; Lee, Junseong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1057 - o1058 |
| a | 8.2472 ± 0.0019 Å |
| b | 9.731 ± 0.002 Å |
| c | 10.087 ± 0.002 Å |
| α | 90.3 ± 0.01° |
| β | 96.228 ± 0.01° |
| γ | 96.259 ± 0.01° |
| Cell volume | 799.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241485.cif 2241485.hkl |
| 174735 | 2016-01-22 | cif/ hkl/ Adding structures of 2241485 via cif-deposit CGI script. |
2241485.cif 2241485.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.