Information card for entry 2237941

Structure parameters

• Chemical name: 1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole
• Formula: C17 H11 Br N2
• Calculated formula: C17 H11 Br N2
• SMILES: Brc1c2ccccc2c(c2c1cccc2)n1cncc1
• Title of publication: 1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole
• Authors of publication: Lee, Hon Man; Lee, Hong-Jyun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o672
• a: 8.1832 ± 0.0002 Å
• b: 8.8473 ± 0.0002 Å
• c: 9.5814 ± 0.0002 Å
• α: 75.355 ± 0.001°
• β: 81.624 ± 0.001°
• γ: 77.134 ± 0.001°
• Cell volume: 651.35 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes