Information card for entry 7061066

Structure parameters

• Formula: C20 H17 Cl2 N O
• Calculated formula: C20 H17 Cl2 N O
• SMILES: Clc1ccc(/C=C/2CN(C/C(=C\c3ccc(Cl)cc3)C2=O)C)cc1
• Title of publication: Synthesis, in vitro anti-plasmodial potency, in-silico-cum-SPR binding with inhibition of PfPyridoxal synthase and rapid parasiticidal action by 3,5-bis{(E) arylidene}-N-methyl-4-piperidones
• Authors of publication: Rokkam, Siva Kumar; Yadav, Mamta; Joshi, Mayank; Choudhury, Angshuman Roy; Sahal, Dinkar; Golakoti, Nageswara Rao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 22150 - 22165
• a: 5.4902 ± 0.0004 Å
• b: 14.2399 ± 0.0008 Å
• c: 23.1491 ± 0.0014 Å
• α: 90°
• β: 104.323 ± 0.006°
• γ: 90°
• Cell volume: 1753.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No