Information card for entry 2227484

Structure parameters

• Chemical name: Ethyl 2-[(<i>Z</i>)-2-benzylhydrazin-1-ylidene]-2-bromoacetate
• Formula: C11 H13 Br N2 O2
• Calculated formula: C11 H13 Br N2 O2
• SMILES: BrC(=N\NCc1ccccc1)/C(=O)OCC
• Title of publication: Ethyl 2-[(<i>Z</i>)-2-benzylhydrazin-1-ylidene]-2-bromoacetate
• Authors of publication: Yang, Qian-Jiao; Liu, Dan; Zuo, Jian; Hu, Guo-Dong; Zhao, Lin-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2334
• a: 9.046 ± 0.001 Å
• b: 11.235 ± 0.001 Å
• c: 12.326 ± 0.002 Å
• α: 90°
• β: 92.935 ± 0.004°
• γ: 90°
• Cell volume: 1251.1 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes