Information card for entry 7056456

Structure parameters

• Formula: C23 H15 F2 N3 O2
• Calculated formula: C23 H15 F2 N3 O2
• SMILES: Fc1cc(c2nc3ccccc3c(c2)C(=O)N/N=C/c2ccc(O)cc2)cc(F)c1
• Title of publication: Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2,5-(disubstituted-[1,3,4])-oxadiazoles
• Authors of publication: Bharadwaj, S. Shashidhar; Poojary, Boja; Madan Kumar, S.; Byrappa, K.; Nagananda, Govinahalli Shivashankara; Chaitanya, Amajala Krishna; Zaveri, Kunal; Yarla, Nagendra Sastry; Shiralgi, Yallappa; Kudva, Avinash K.; Dhananjaya, B. L.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8568 - 8585
• a: 13.178 ± 0.007 Å
• b: 9.598 ± 0.005 Å
• c: 28.58 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3615 ± 3 ų
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No