Information card for entry 2230594

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)nicotinohydrazide acetonitrile monosolvate
• Formula: C15 H12 I2 N4 O2
• Calculated formula: C15 H12 I2 N4 O2
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1cccnc1.N#CC
• Title of publication: (<i>E</i>)-<i>N</i>'-(2-Hydroxy-3,5-diiodobenzylidene)nicotinohydrazide acetonitrile monosolvate
• Authors of publication: Sun, Shan-Shan; Liu, Shi-Yong; Zheng, Ting-Ting; Wang, Xiao-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1624
• a: 11.1347 ± 0.0013 Å
• b: 13.3721 ± 0.0016 Å
• c: 11.9999 ± 0.0015 Å
• α: 90°
• β: 104.083 ± 0.006°
• γ: 90°
• Cell volume: 1733 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes