Information card for entry 1559701

Structure parameters

• Formula: C23 H19 N3 S
• Calculated formula: C23 H19 N3 S
• SMILES: s1c(/C=N/c2c(NC(c3ccccc3)c3ncccc3)cccc2)ccc1
• Title of publication: X-ray structure of two Schiff bases: TURN-ON sensing of Fe³⁺ and Al³⁺ in the HepG2 cell line.
• Authors of publication: Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 5485 - 5495
• a: 9.8094 ± 0.0003 Å
• b: 20.7167 ± 0.0007 Å
• c: 9.6437 ± 0.0003 Å
• α: 90°
• β: 93.556 ± 0.001°
• γ: 90°
• Cell volume: 1956 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No