Information card for entry 4306503

Structure parameters

• Chemical name: N,N-dimethyl-2-(1-pyridin-2-ylethyl)hydrazinecarbothioamide
• Formula: C10 H16 N4 S
• Calculated formula: C10 H16 N4 S
• SMILES: S=C(NNC(c1ncccc1)C)N(C)C
• Title of publication: An Electrochemical Study of Antineoplastic Gallium, Iron and Ruthenium Complexes with Redox Noninnocent α-N-Heterocyclic Chalcogensemicarbazones
• Authors of publication: Christian R. Kowol; Erwin Reisner; Ion Chiorescu; Vladimir B. Arion; Markus Galanski; Dirk V. Deubel; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11032 - 11047
• a: 5.4716 ± 0.0002 Å
• b: 18.9799 ± 0.0007 Å
• c: 11.8689 ± 0.0004 Å
• α: 90°
• β: 97.289 ± 0.002°
• γ: 90°
• Cell volume: 1222.63 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No