Information card for entry 2214148

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(4-Bromobenzoylmethylene)imidazolidin-1-yl]ethyl 4-bromobenzoate
• Formula: C20 H18 Br2 N2 O3
• Calculated formula: C20 H18 Br2 N2 O3
• SMILES: Brc1ccc(C(=O)/C=C/2NCCN2CCOC(=O)c2ccc(Br)cc2)cc1
• Title of publication: (<i>E</i>)-2-[2-(4-Bromobenzoylmethylene)imidazolidin-1-yl]ethyl 4-bromobenzoate
• Authors of publication: Chu-Yi Yu; Xue-Ning Yuan; Li-Ben Wang; Zhi-Tang Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3057 - o3057
• a: 7.3733 ± 0.0015 Å
• b: 11.117 ± 0.002 Å
• c: 12.954 ± 0.002 Å
• α: 104.635 ± 0.01°
• β: 105.108 ± 0.011°
• γ: 96.7 ± 0.009°
• Cell volume: 972.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0779
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes