Information card for entry 2207086

Structure parameters

• Chemical name: 2-(2-Acetamido-5-methylbenzoyl)indole
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: O=C(c1[nH]c2c(c1)cccc2)c1cc(ccc1NC(=O)C)C
• Title of publication: 2-(2-Acetamido-5-methylbenzoyl)-1<i>H-</i>indole
• Authors of publication: T. Ravishankar; K. Chinnakali; N. Arumugam; P. C. Srinivasan; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3291 - o3293
• a: 21.8765 ± 0.0012 Å
• b: 14.3774 ± 0.0008 Å
• c: 11.7603 ± 0.0007 Å
• α: 90°
• β: 107.05 ± 0.001°
• γ: 90°
• Cell volume: 3536.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes