Information card for entry 7161067

Structure parameters

• Formula: C29 H22 Br N3
• Calculated formula: C29 H22 Br N3
• Title of publication: Iodine-mediated cascade amination enables one-pot access to antimicrobial indole-embedded dihydropyrazoles.
• Authors of publication: Ajay Krishna, M. S.; Ashitha, K. T.; Bhat, Meghashyama Prabhakara; Rudrappa, Muthuraj; Athira, C. S.; Lalshikanther Basha, A. L.; Varughese, Sunil; Vankadari, Naveen; Nayaka, Sreenivasa; Somappa, Sasidhar B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 2676 - 2682
• a: 12.5521 ± 0.0003 Å
• b: 11.6842 ± 0.0003 Å
• c: 31.6373 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4639.97 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No