Information card for entry 7720256

Structure parameters

• Formula: C6 H9 N5 S
• Calculated formula: C6 H9 N5 S
• Title of publication: Comparative solution study of imidazole-derived thiosemicarbazone complexes: effects of methylation and aromatic conjugation on the redox properties, anticancer, and antibacterial activity
• Authors of publication: Petrasheuskaya, Tatsiana V.; Kiss, Márton A; Rapta, P.; Fonay, Csenge; May, Nóra; Spengler, Gabriella; Frank, Eva; Enyedy, Eva A.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.6485 ± 0.0004 Å
• b: 7.8052 ± 0.0003 Å
• c: 22.5205 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1695.98 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No