Information card for entry 2232751

Structure parameters

• Chemical name: 1-Bromo-2-[(<i>E</i>)-2-nitroethenyl]benzene
• Formula: C8 H6 Br N O2
• Calculated formula: C8 H6 Br N O2
• SMILES: Brc1ccccc1/C=C/N(=O)=O
• Title of publication: 1-Bromo-2-[(<i>E</i>)-2-nitroethenyl]benzene
• Authors of publication: Zhao, Pei-Hua; Feng, Zhan-Heng; Zhang, Mei; Liu, Ya-Qing; Zhao, Gui-Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3505
• a: 6.957 ± 0.0018 Å
• b: 15.646 ± 0.002 Å
• c: 7.947 ± 0.0013 Å
• α: 90°
• β: 109.336 ± 0.005°
• γ: 90°
• Cell volume: 816.2 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes