Information card for entry 2225389

Structure parameters

• Common name: 6-(4-Bromophenyl)-2-ethoxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile
• Chemical name: 6-(4-Bromophenyl)-2-ethoxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile
• Formula: C23 H21 Br N2 O4
• Calculated formula: C23 H21 Br N2 O4
• SMILES: CCOc1nc(cc(c1C#N)c1cc(OC)c(cc1OC)OC)c1ccc(cc1)Br
• Title of publication: 6-(4-Bromophenyl)-2-ethoxy-4-(2,4,5-trimethoxyphenyl)nicotinonitrile
• Authors of publication: Chantrapromma, Suchada; Fun, Hoong-Kun; Padaki, Mahesh; Suwunwong, Thitipone; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o641 - o642
• a: 7.9631 ± 0.0002 Å
• b: 11.0499 ± 0.0003 Å
• c: 23.969 ± 0.0006 Å
• α: 92.201 ± 0.001°
• β: 91.968 ± 0.001°
• γ: 99.586 ± 0.001°
• Cell volume: 2076.31 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.061
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes