Information card for entry 2241530

Structure parameters

• Chemical name: Methyl (<i>E</i>)-3-(2-chlorophenyl)-2-({2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)acrylate
• Formula: C19 H16 Cl N O5
• Calculated formula: C19 H16 Cl N O5
• SMILES: Clc1c(/C=C(COc2c(/C=C/N(=O)=O)cccc2)/C(=O)OC)cccc1
• Title of publication: Crystal structures of methyl (<i>E</i>)-3-(2-chlorophenyl)-2-({2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)acrylate and methyl (<i>E</i>)-2-({4-chloro-2-[(<i>E</i>)-2-nitrovinyl]phenoxy}methyl)-3-(2-chlorophenyl)acrylate
• Authors of publication: Vimala, G.; Poomathi, N.; Perumal, P. T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 261 - 265
• a: 9.0152 ± 0.0003 Å
• b: 13.6579 ± 0.0004 Å
• c: 14.6366 ± 0.0004 Å
• α: 90°
• β: 102.176 ± 0.001°
• γ: 90°
• Cell volume: 1761.64 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes