Information card for entry 2207644

Structure parameters

• Chemical name: (E)-1-[3-(Benzyloxy)-4-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine acetonitrile solvate
• Formula: C23 H21 N5 O6
• Calculated formula: C23 H21 N5 O6
• SMILES: O(Cc1ccccc1)c1cc(ccc1OC)/C=N/Nc1ccc(N(=O)=O)cc1N(=O)=O.N#CC
• Title of publication: (<i>E</i>)-1-[3-(Benzyloxy)-4-methoxybenzylidene]-2-(2,4-dinitrophenyl)hydrazine acetonitrile solvate
• Authors of publication: Shi, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4020 - o4022
• a: 7.945 ± 0.003 Å
• b: 12.253 ± 0.005 Å
• c: 12.549 ± 0.005 Å
• α: 67.618 ± 0.007°
• β: 84.794 ± 0.007°
• γ: 87.729 ± 0.008°
• Cell volume: 1124.9 ± 0.8 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: 0.1233
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes