Information card for entry 2003698

Structure parameters

• Chemical name: N-methyl-N-phenyl-2-(5-methoxyindole)carboxamide
• Formula: C17 H16 N2 O2
• Calculated formula: C17 H16 N2 O2
• Title of publication: Conformation at the Amide N Atom of 1-Carboxamide Indole Derivatives
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Caubère, C.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1341 - 1345
• a: 11.311 ± 0.008 Å
• b: 10.22 ± 0.007 Å
• c: 6.586 ± 0.001 Å
• α: 79.59 ± 0.02°
• β: 79.2 ± 0.04°
• γ: 78.86 ± 0.03°
• Cell volume: 725.5 ± 0.7 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: 0.0964
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0594
• Goodness-of-fit parameter for all reflections: 0.767
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No