Information card for entry 2217225

Structure parameters

• Chemical name: 1,2-Bis[amino(pyrimidin-2-yl)methylene]hydrazine dihydrate
• Formula: C10 H14 N8 O2
• Calculated formula: C10 H14 N8 O2
• SMILES: NC(=N\N=C(\c1ncccn1)N)/c1ncccn1.O.O
• Title of publication: 1,2-Bis[amino(pyrimidin-2-yl)methylene]hydrazine dihydrate
• Authors of publication: Shuo Shi; Tian-ming Yao; Xiao-ting Geng; Lin Chen; Liang-nian Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o272 - o272
• a: 6.109 ± 0.002 Å
• b: 7.502 ± 0.003 Å
• c: 7.588 ± 0.003 Å
• α: 105.112 ± 0.006°
• β: 106.975 ± 0.007°
• γ: 99.193 ± 0.006°
• Cell volume: 310.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes