Information card for entry 2239055

Structure parameters

• Common name: 5-Aminopyrazol-2-ium hydrogen succinate
• Chemical name: 5-Amino-1<i>H</i>-pyrazol-2-ium 3-carboxypropanoate
• Formula: C7 H11 N3 O4
• Calculated formula: C7 H11 N3 O4
• SMILES: OC(=O)CCC(=O)[O-].Nc1[nH][nH+]cc1
• Title of publication: 5-Amino-1<i>H</i>-pyrazol-2-ium hydrogen succinate
• Authors of publication: Yamuna, Thammarse S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o221 - o222
• a: 18.525 ± 0.003 Å
• b: 6.7872 ± 0.0009 Å
• c: 14.564 ± 0.003 Å
• α: 90°
• β: 108.9 ± 0.018°
• γ: 90°
• Cell volume: 1732.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes