Information card for entry 2242787

Structure parameters

• Chemical name: 4-Allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C15 H11 Br Cl N3
• Calculated formula: C15 H11 Br Cl N3
• SMILES: Brc1cc2nc(nc2n(c1)CC=C)c1ccc(Cl)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Haoudi, Amal; Renard, Catherine; Capet, Frédéric
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 43 - 48
• a: 7.6218 ± 0.0005 Å
• b: 8.5238 ± 0.0005 Å
• c: 11.1093 ± 0.0007 Å
• α: 95.739 ± 0.003°
• β: 98.88 ± 0.003°
• γ: 94.979 ± 0.003°
• Cell volume: 705.66 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes