Information card for entry 2233425

Structure parameters

• Chemical name: (<i>E</i>)-(4-Bromobenzylidene)amino cyclopropanecarboxylate
• Formula: C11 H10 Br N O2
• Calculated formula: C11 H10 Br N O2
• SMILES: Brc1ccc(cc1)/C=N/OC(=O)C1CC1
• Title of publication: (<i>E</i>)-(4-Bromobenzylidene)amino cyclopropanecarboxylate
• Authors of publication: Liu, Xing-Hai; Tan, Cheng-Xia; Weng, Jian-Quan; Liu, Hui-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o493
• a: 13.209 ± 0.003 Å
• b: 13.789 ± 0.003 Å
• c: 5.8714 ± 0.0012 Å
• α: 90°
• β: 98.27 ± 0.03°
• γ: 90°
• Cell volume: 1058.3 ± 0.4 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: 0.0491
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes