Information card for entry 1566066

Structure parameters

• Formula: C10 H10 N4 S
• Calculated formula: C10 H10 N4 S
• SMILES: C1(=NCCS1)n1c(nc2ccccc12)N
• Title of publication: Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
• Authors of publication: Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
• Journal of publication: Polyhedron
• Year of publication: 2021
• Journal volume: 207
• Pages of publication: 115390
• a: 7.26 ± 0.0005 Å
• b: 7.8108 ± 0.0005 Å
• c: 18.1459 ± 0.0013 Å
• α: 90°
• β: 96.937 ± 0.001°
• γ: 90°
• Cell volume: 1021.46 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No