Information card for entry 2233653

Structure parameters

• Common name: Evodiamide
• Chemical name: <i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-<i>N</i>-methyl- 2-(methylamino)benzamide
• Formula: C19 H21 N3 O
• Calculated formula: C19 H21 N3 O
• SMILES: [nH]1cc(c2c1cccc2)CCN(C)C(=O)c1c(NC)cccc1
• Title of publication: Evodiamide
• Authors of publication: Cai, Fang; Wu, Jie; Tian, Hai-Yan; Yuan, Xiao-Feng; Jiang, Ren-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o305
• a: 8.958 ± 0.002 Å
• b: 9.886 ± 0.002 Å
• c: 10.616 ± 0.002 Å
• α: 84.076 ± 0.004°
• β: 76.276 ± 0.004°
• γ: 66.746 ± 0.003°
• Cell volume: 839.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes