Information card for entry 4504589

Structure parameters

• Common name: 1-amino-1,2,4-triazole hydrochloride
• Formula: C2 H5 Cl N4
• Calculated formula: C2 H5 Cl N4
• SMILES: [Cl-].Nn1nc[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: 5.099 ± 0.001 Å
• b: 7.2298 ± 0.0014 Å
• c: 15.042 ± 0.003 Å
• α: 90°
• β: 96.52 ± 0.03°
• γ: 90°
• Cell volume: 550.93 ± 0.19 ų
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No