Information card for entry 7161183

Structure parameters

• Chemical name: 1H-Indole-3-carbonitrile
• Formula: C9 H6 N2
• Calculated formula: C9 H6 N2
• Title of publication: Visible-light-driven metal-free iminyl radical cyanation for the synthesis of 3-cyanoindoles
• Authors of publication: Gupta, Nikita; Ahmed, Imtiaz; Sarma, Plaban Jyoti; Neog, Shilpa; Phukan, Gauri sankar; Das, Vijay Kumar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 13.9424 ± 0.0004 Å
• b: 5.9908 ± 0.0002 Å
• c: 8.9036 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 743.68 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No