Information card for entry 7249881

Structure parameters

• Formula: C3.33 H2.8 Cl0.13 N0.27 O0.13
• Calculated formula: C3.33333 H2.8 Cl0.133333 N0.266667 O0.133333
• Title of publication: Ligand-free palladium-catalyzed synthesis of 3-(2,2-dialkyl-2<i>H</i>-chromen-4-yl)-2-phenylimidazo[1,2-<i>a</i>]pyridine derivatives: molecular docking investigation of their potential as DNA gyrase inhibitors and evaluation of their antibacterial activities.
• Authors of publication: Mishra, Rudra Narayan; Ahemad, Mohammed Ansar; Panda, Jasmine; Nayak, Sabita; Mohapatra, Seetaram; Sahoo, Chita Ranjan
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 2930 - 2946
• a: 9.4927 ± 0.0007 Å
• b: 10.3632 ± 0.0007 Å
• c: 11.6644 ± 0.0006 Å
• α: 83.912 ± 0.005°
• β: 69.508 ± 0.005°
• γ: 81.211 ± 0.006°
• Cell volume: 1060.54 ± 0.12 ų
• Cell temperature: 206 ± 30 K
• Ambient diffraction temperature: 206 ± 30 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: 0.0515
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No