Information card for entry 2216872

Structure parameters

• Chemical name: 2-Aminopyrimidinium picrate
• Formula: C10 H8 N6 O7
• Calculated formula: C10 H8 N6 O7
• SMILES: Nc1[nH+]cccn1.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: 2-Aminopyrimidinium picrate
• Authors of publication: Narayana, B.; Sarojini, B. K.; Prakash Kamath, K.; Yathirajan, H. S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o117 - o118
• a: 5.8803 ± 0.0007 Å
• b: 8.0025 ± 0.001 Å
• c: 13.8108 ± 0.0017 Å
• α: 88.021 ± 0.01°
• β: 82.322 ± 0.009°
• γ: 88.739 ± 0.01°
• Cell volume: 643.59 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes