Information card for entry 7720250

Structure parameters

• Formula: C7 H11 N5 S
• Calculated formula: C7 H11 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: 9.4428 ± 0.0008 Å
• b: 14.1585 ± 0.0011 Å
• c: 7.3587 ± 0.0007 Å
• α: 90°
• β: 108.425 ± 0.008°
• γ: 90°
• Cell volume: 933.4 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0834
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No