Information card for entry 2012697

Structure parameters

• Common name: Di-2-pyridyl ketone p-aminobenzoylhydrazone hydrate
• Chemical name: 4-Amino-2'-(di-2-pyridylmethylene)benzohydrazide hydrate
• Formula: C18 H17 N5 O2
• Calculated formula: C18 H17 N5 O2
• SMILES: n1ccccc1C(=N\NC(=O)c1ccc(cc1)N)/c1ncccc1.O
• Title of publication: Di-2-pyridyl ketone <i>p</i>-aminobenzoylhydrazone hydrate
• Authors of publication: Bakir, Mohammed; Orville Green
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o263 - o265
• a: 8.6648 ± 0.001 Å
• b: 9.963 ± 0.0016 Å
• c: 11.1996 ± 0.0011 Å
• α: 91.083 ± 0.009°
• β: 109.199 ± 0.005°
• γ: 109.571 ± 0.01°
• Cell volume: 851.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.172
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes