Information card for entry 7245732

Structure parameters

• Formula: C17 H14 Br2 N4
• Calculated formula: C17 H14 Br2 N4
• SMILES: Brc1cc2c(nc1)n(cc2Cc1cn(c2ncc(Br)cc12)C)C
• Title of publication: Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions
• Authors of publication: Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 47
• Pages of publication: 30712 - 30721
• a: 7.8514 ± 0.0007 Å
• b: 8.4149 ± 0.0007 Å
• c: 13.4259 ± 0.0012 Å
• α: 100.609 ± 0.003°
• β: 105.51 ± 0.003°
• γ: 95.703 ± 0.003°
• Cell volume: 829.71 ± 0.13 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No