Information card for entry 2015790

Structure parameters

• Chemical name: (E)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: c1(cc(c(c(c1)C)OC(=O)C=C)C)/N=N/c1ccc(cc1)C
• Title of publication: (<i>E</i>)-4-(4-Bromophenyldiazenyl)-2,6-dimethylphenyl acrylate and (<i>E</i>)-2,6-dimethyl-4-(4-methylphenyldiazenyl)phenyl acrylate
• Authors of publication: Kocaokutgen, Hasan; Ibrahim Uçar; Gür, Mahmut; Özkınalı, Sevil; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o111 - o113
• a: 6.1589 ± 0.0008 Å
• b: 11.2603 ± 0.0015 Å
• c: 12.3461 ± 0.0016 Å
• α: 82.78 ± 0.011°
• β: 80.07 ± 0.011°
• γ: 85.321 ± 0.011°
• Cell volume: 835.13 ± 0.19 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1549
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes