Information card for entry 2218021

Structure parameters

• Chemical name: N^2'^,N^5'^-Diisopropylidenepyrazine-2,5-dicarbohydrazide dihydrate
• Formula: C12 H20 N6 O4
• Calculated formula: C12 H20 N6 O4
• SMILES: N(N=C(C)C)C(=O)c1ncc(nc1)C(=O)NN=C(C)C.O.O
• Title of publication: <i>N</i>^2'^,<i>N</i>^5'^-Diisopropylidenepyrazine-2,5-dicarbohydrazide dihydrate
• Authors of publication: Ding, Miao; Wu, Wen-Shi; Li, Hai-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o677
• a: 7.1924 ± 0.0005 Å
• b: 9.9409 ± 0.0008 Å
• c: 11.0903 ± 0.0009 Å
• α: 80.261 ± 0.006°
• β: 84.605 ± 0.005°
• γ: 89.537 ± 0.006°
• Cell volume: 778.03 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1463
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes