Information card for entry 7125935

Structure parameters

• Chemical name: 2-((5-methyl-1H-indol-3-yl)methyl)aniline
• Formula: C16 H16 N2
• Calculated formula: C16 H16 N2
• Title of publication: Acid mediated coupling of aliphatic amines and nitrosoarenes to indoles.
• Authors of publication: Roy, Subhra Kanti; Purkait, Anisha; Aziz, Sk Md Tarik; Jana, Chandan K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3167 - 3170
• a: 20.126 ± 0.004 Å
• b: 7.6043 ± 0.0004 Å
• c: 19.1043 ± 0.0019 Å
• α: 90°
• β: 114.182 ± 0.01°
• γ: 90°
• Cell volume: 2667.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No