Information card for entry 2224542

Structure parameters

• Chemical name: (<i>E</i>)-1-Bromo-4-(2-nitroprop-1-enyl)benzene
• Formula: C9 H8 Br N O2
• Calculated formula: C9 H8 Br N O2
• SMILES: Brc1ccc(cc1)/C=C(/N(=O)=O)C
• Title of publication: (<i>E</i>)-1-Bromo-4-(2-nitroprop-1-enyl)benzene
• Authors of publication: Li, Bailin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3174
• a: 6.9787 ± 0.0005 Å
• b: 7.4123 ± 0.0005 Å
• c: 9.7659 ± 0.0006 Å
• α: 105.435 ± 0.002°
• β: 95.087 ± 0.002°
• γ: 104.323 ± 0.002°
• Cell volume: 465.32 ± 0.05 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes