Information card for entry 7717434

Structure parameters

• Common name: TscMe,Me
• Chemical name: (E)-N,N-dimethyl-2-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)hydrazinecarbothioamide
• Formula: C8 H12 N6 O2 S
• Calculated formula: C8 H12 N6 O2 S
• Title of publication: Rhenium(I) and technetium(I) complexes with megazol derivatives: towards the development of a theranostic platform for Chagas disease
• Authors of publication: Gonçalves, Ana Cristina Resende; Libardi, Silvia Helena; Borges, Júlio Cesar; Oliveira, Ronaldo Junio de; Gotzmann, Carla; Blacque, Olivier; Albuquerque, Sergio; Lopes, Carla Duque; Alberto, Roger; da Silva Maia, Pedro Ivo
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 6.7222 ± 0.0003 Å
• b: 28.6428 ± 0.0014 Å
• c: 6.0461 ± 0.0003 Å
• α: 90°
• β: 106.054 ± 0.005°
• γ: 90°
• Cell volume: 1118.73 ± 0.1 ų
• Cell temperature: 159.95 ± 0.1 K
• Ambient diffraction temperature: 159.95 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No