Information card for entry 2222683

Structure parameters

• Common name: <i>E</i>-2-(2-Nitro-vinyl)-furan
• Chemical name: (<i>E</i>)-2-(2-Nitroethenyl)furan
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: o1c(ccc1)/C=C/N(=O)=O
• Title of publication: (<i>E</i>)-2-(2-Nitroethenyl)furan
• Authors of publication: Valerga, Pedro; Puerta, M. Carmen; Rodríguez Negrín, Zenaida; Castañedo Cancio, Nilo; Palma Lovillo, Miguel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1979
• a: 9.0374 ± 0.0018 Å
• b: 5.2012 ± 0.001 Å
• c: 13.027 ± 0.003 Å
• α: 90°
• β: 97.58 ± 0.03°
• γ: 90°
• Cell volume: 607 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes