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Information card for entry 7036388
Preview
Coordinates | 7036388.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4-Amino-1-benzyl-1,2,3-triazol-5-amide |
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Formula | C10 H11 N5 O |
Calculated formula | C10 H11 N5 O |
SMILES | NC(=O)c1nnn(c1N)Cc1ccccc1 |
Title of publication | Energetic derivatives of 5-(5-amino-2H-1,2,3-triazol-4-yl)-1H-tetrazole. |
Authors of publication | Izsák, Dániel; Klapötke, Thomas M; Pflüger, Carolin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 39 |
Pages of publication | 17054 - 17063 |
a | 11.731 ± 0.004 Å |
b | 7.423 ± 0.002 Å |
c | 11.188 ± 0.004 Å |
α | 90° |
β | 93.655 ± 0.003° |
γ | 90° |
Cell volume | 972.3 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0376 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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