Information card for entry 4336540

Structure parameters

• Formula: C20 H17 N3 S
• Calculated formula: C20 H17 N3 S
• SMILES: S=C(Nc1ccccc1)NN=C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes
• Authors of publication: Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12440 - 12449
• a: 5.6023 ± 0.0003 Å
• b: 10.2081 ± 0.0004 Å
• c: 29.8821 ± 0.0012 Å
• α: 90°
• β: 92.96 ± 0.004°
• γ: 90°
• Cell volume: 1706.64 ± 0.13 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: 0.0668
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No