Information card for entry 7150539

Structure parameters

• Common name: E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene
• Chemical name: E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: O=N(=O)/C=C/c1c(c2c(N(C)C)cccc2)cccc1
• Title of publication: Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case
• Authors of publication: O'Leary, Jane; Wallis, John D.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 225 - 228
• a: 8.851 ± 0.0002 Å
• b: 9.8816 ± 0.0003 Å
• c: 18.2164 ± 0.0007 Å
• α: 92.1632 ± 0.0014°
• β: 96.4141 ± 0.0015°
• γ: 116.416 ± 0.002°
• Cell volume: 1411.1 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1387
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2342
• 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: No