Information card for entry 4504593

Structure parameters

• Common name: 1-amino-1,2,3-triazole hydrochloride
• Formula: C2 H5 Cl N4
• Calculated formula: C2 H5 Cl N4
• SMILES: [Cl-].n1(n[nH+]cc1)N
• 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: 5.0579 ± 0.0003 Å
• b: 7.0018 ± 0.0003 Å
• c: 7.647 ± 0.0005 Å
• α: 90°
• β: 91.716 ± 0.003°
• γ: 90°
• Cell volume: 270.69 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No