Information card for entry 7119187

Structure parameters

• Formula: C11 H10 N4 S
• Calculated formula: C11 H10 N4 S
• SMILES: S=C(N/N=C/c1c2ncccc2ccc1)N
• Title of publication: (Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines
• Authors of publication: Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 103
• a: 8.9464 ± 0.0009 Å
• b: 12.8728 ± 0.0011 Å
• c: 9.7816 ± 0.0007 Å
• α: 90°
• β: 95.947 ± 0.008°
• γ: 90°
• Cell volume: 1120.44 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0492
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.710689 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No