Information card for entry 2238552

Structure parameters

• Chemical name: (4-Fluorophenyl)thiourea‒1,10-phenanthroline (1/1)
• Formula: C19 H15 F N4 S
• Calculated formula: C19 H15 F N4 S
• SMILES: c1ccc2c(n1)c1ncccc1cc2.NC(=S)Nc1ccc(cc1)F
• Title of publication: (4-Fluorophenyl)thiourea‒1,10-phenanthroline (1/1)
• Authors of publication: Yamin, Bohari M.; Salem, Halima F.; Yusoff, Siti Fairus M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1468
• a: 10.245 ± 0.003 Å
• b: 12.72 ± 0.003 Å
• c: 15.222 ± 0.004 Å
• α: 69.523 ± 0.004°
• β: 75.854 ± 0.005°
• γ: 66.565 ± 0.004°
• Cell volume: 1692.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes