Information card for entry 2201899

Structure parameters

• Chemical name: 2-[2-(4-Ethoxy-5-methoxy-2-nitrophenyl)vinyl]-1H-indole
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: O(c1cc(/C=C/c2[nH]c3c(c2)cccc3)c(cc1OC)N(=O)=O)CC
• Title of publication: 2-[2-(5-Ethoxy-4-methoxy-2-nitrophenyl)vinyl]-1<i>H</i>-indole
• Authors of publication: R. Sankaranarayanan; M. Yogavel; D. Velmurugan; P. C. Srinivasan; S. Shanmuga Sundara Raj; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o672 - o674
• a: 7.5949 ± 0.0004 Å
• b: 10.0887 ± 0.0006 Å
• c: 11.5777 ± 0.0007 Å
• α: 85.298 ± 0.001°
• β: 76.924 ± 0.001°
• γ: 86.166 ± 0.001°
• Cell volume: 860.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes