Information card for entry 7201048

Structure parameters

• Common name: N-Benzyl-1H-indole-1-carboxamide
• Chemical name: N-Benzyl-1H-indole-1-carboxamide
• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: N(C(=O)n1ccc2c1cccc2)Cc1ccccc1
• Title of publication: Gold-catalyzed intramolecular hydroamination of terminal alkynes in aqueous media: efficient and regioselective synthesis of indole-1-carboxamides
• Authors of publication: Ye, Deju; Wang, Jinfang; Zhang, Xu; Zhou, Yu; Ding, Xiao; Feng, Enguang; Sun, Haifeng; Liu, Guannan; Jiang, Hualiang; Liu, Hong
• Journal of publication: Green Chemistry
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1201
• a: 11.3034 ± 0.0011 Å
• b: 13.2485 ± 0.0013 Å
• c: 8.9142 ± 0.0009 Å
• α: 90°
• β: 97.277 ± 0.002°
• γ: 90°
• Cell volume: 1324.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No