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Information card for entry 4504587
Preview
Coordinates | 4504587.cif |
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Original paper (by DOI) | HTML |
Common name | 4-amino-1,2,4-triazole hydrochloride |
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Formula | C2 H5 Cl N4 |
Calculated formula | C2 H5 Cl N4 |
SMILES | [Cl-].Nn1cn[nH+]c1 |
Title of publication | Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides |
Authors of publication | Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2006 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 404 |
a | 7.1584 ± 0.0014 Å |
b | 8.164 ± 0.0016 Å |
c | 9.3954 ± 0.0019 Å |
α | 90° |
β | 102.97 ± 0.03° |
γ | 90° |
Cell volume | 535.07 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0599 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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