Information card for entry 2239263

Structure parameters

• Chemical name: (<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate
• Formula: C14.5 H9 Cl N4 O6
• Calculated formula: C14.5 H9 Cl N4 O6
• SMILES: C(Cl)Cl.N(/N=C/1OC(=O)c2c1cccc2)c1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: (<i>Z</i>)-3-[2-(2,4-Dinitrophenyl)hydrazin-1-ylidene]isobenzofuran-1(3<i>H</i>)-one dichloromethane hemisolvate
• Authors of publication: Agarwal, Palak; Mishra, Pragati; Gupta, Nikita; Neelam; Sahoo, Priyaranjan; Kumar, Satish
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o418
• a: 14.0834 ± 0.0011 Å
• b: 8.2605 ± 0.0006 Å
• c: 26.561 ± 0.002 Å
• α: 90°
• β: 93.816 ± 0.007°
• γ: 90°
• Cell volume: 3083.1 ± 0.4 ų
• Cell temperature: 297.15 ± 0.02 K
• Ambient diffraction temperature: 297.15 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes