Information card for entry 2212873

Structure parameters

• Chemical name: N,N'-Bis(isonicotinoyl)hydrazine dihydrate
• Formula: C12 H14 N4 O4
• Calculated formula: C12 H14 N4 O4
• SMILES: O=C(c1ccncc1)NNC(=O)c1ccncc1.O.O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(isonicotinoyl)hydrazine dihydrate at 120(2)K: a three-dimensional framework built from N—H···O, O—H···O, O—H···N and C—H···O hydrogen bonds
• Authors of publication: Quiroga, Jairo; Portilla, Jaime; Cobo, Justo; Torre, José M. de la; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1687 - o1690
• a: 28.1492 ± 0.0015 Å
• b: 24.1628 ± 0.0013 Å
• c: 3.7181 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2528.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes