Information card for entry 2243359

Structure parameters

• Chemical name: 6-Bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C24 H30 Br2 N4 O2
• Calculated formula: C24 H30 Br2 N4 O2
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Jabri, Zainab; Jarmoni, Karim; Hökelek, Tuncer; Mague, Joel T.; Sabir, Safia; Kandri Rodi, Youssef; Misbahi, Khalid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 677 - 682
• a: 6.3291 ± 0.0011 Å
• b: 9.8911 ± 0.0017 Å
• c: 21.133 ± 0.004 Å
• α: 76.48 ± 0.002°
• β: 84.965 ± 0.003°
• γ: 73.891 ± 0.002°
• Cell volume: 1235.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes