Information card for entry 2243130

Structure parameters

• Chemical name: 6-Bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine
• Formula: C13 H8 Br2 N2
• Calculated formula: C13 H8 Br2 N2
• SMILES: Brc1ccc2n(cc(n2)c2ccc(Br)cc2)c1
• Title of publication: Crystal structure, DFT calculation, Hirshfeld surface analysis and energy framework study of 6-bromo-2-(4-bromophenyl)imidazo[1,2-<i>a</i>]pyridine
• Authors of publication: Khamees, Hussien Ahmed; Chaluvaiah, Kumara; El-khatatneh, Nasseem Ahmed; Swamynayaka, Ananda; Chong, Kwong Huey; Dasappa, Jagadeesh Prasad; Madegowda, Mahendra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1620 - 1626
• a: 14.1711 ± 0.0004 Å
• b: 6.0546 ± 0.0002 Å
• c: 27.7102 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2377.54 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes