Information card for entry 2218491

Structure parameters

• Chemical name: (E)-2-Furyl methyl ketone 2,4-dinitrophenylhydrazone
• Formula: C12 H10 N4 O5
• Calculated formula: C12 H10 N4 O5
• SMILES: O=N(=O)c1c(N\N=C(c2occc2)/C)ccc(N(=O)=O)c1
• Title of publication: (<i>E</i>)-2-Furyl methyl ketone 2,4-dinitrophenylhydrazone
• Authors of publication: Shan, Shang; Tian, Yu-Liang; Wang, Shan-Heng; Wang, Wen-Long; Xu, Ying-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1153
• a: 9.8917 ± 0.0008 Å
• b: 12.8477 ± 0.0015 Å
• c: 10.6549 ± 0.0012 Å
• α: 90°
• β: 111.63 ± 0.02°
• γ: 90°
• Cell volume: 1258.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes