Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239553
Preview
| Coordinates | 7239553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | di(2H-tetrazol-5-yl)methanone oxime DMSO |
|---|---|
| Formula | C5 H9 N9 O2 S |
| Calculated formula | C5 H9 N9 O2 S |
| Title of publication | Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials |
| Authors of publication | Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 48 |
| Pages of publication | 15383 |
| a | 4.3993 ± 0.0009 Å |
| b | 10.477 ± 0.002 Å |
| c | 12.184 ± 0.003 Å |
| α | 68.811 ± 0.003° |
| β | 84.903 ± 0.003° |
| γ | 89.122 ± 0.003° |
| Cell volume | 521.46 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239553.cif |
| 244767 | 2019-11-28 | cif/ Adding structures of 7239553, 7239554, 7239555 via cif-deposit CGI script. |
7239553.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.