Information card for entry 7155419

Structure parameters

• Chemical name: N-(1-methyl-1H-indol-3-yl)-2-(4-nitrophenyl)acetamide
• Formula: C17 H15 N3 O3
• Calculated formula: C17 H15 N3 O3
• SMILES: c1c(c2ccccc2n1C)NC(=O)Cc1ccc(cc1)N(=O)=O
• Title of publication: Rapid access to N-(indol-2-yl)amides and N-(indol-3-yl)amides as unexplored pharmacophores.
• Authors of publication: Reekie, Tristan A.; Wilkinson, Shane M.; Law, Vivian; Hibbs, David E.; Ong, Jennifer A.; Kassiou, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 576 - 580
• a: 4.7845 ± 0.0014 Å
• b: 7.017 ± 0.002 Å
• c: 21.72 ± 0.006 Å
• α: 90°
• β: 92.133 ± 0.004°
• γ: 90°
• Cell volume: 728.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No