Information card for entry 7244196

Structure parameters

• Common name: SS1-246RF1
• Chemical name: 1-allyl-3-bromo-2-phenyl-1H-indole
• Formula: C17 H14 Br N
• Calculated formula: C17 H14 Br N
• Title of publication: DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles
• Authors of publication: Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1834 - 1839
• a: 8.2567 ± 0.0005 Å
• b: 19.7843 ± 0.0011 Å
• c: 8.8668 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1448.42 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No