Information card for entry 7248760

Structure parameters

• Formula: C28 H25 Cl F2 N6 O4
• Calculated formula: C28 H25 Cl F2 N6 O4
• SMILES: Clc1cc(n2nnc(c2)COC(=O)C2C(=O)c3cc(F)c(N4CCN(C(=O)C)CC4)cc3N(C=2)C2CC2)ccc1F
• Title of publication: Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies
• Authors of publication: Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 17051 - 17070
• a: 22.17 ± 0.0004 Å
• b: 7.54141 ± 0.00012 Å
• c: 34.4865 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5765.9 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No