Information card for entry 7711054

Structure parameters

• Formula: C24 H24.4 N4 O4.2 S
• Calculated formula: C24 H22 N4 O3 S
• SMILES: c1(ccccc1)N1C(=O)/C(=C(c2ccccc2)\NNS(=O)(=O)c2ccc(cc2)C)C(=N1)C
• Title of publication: Role of hydrazone substituents in determining the nuclearity and antibacterial activity of Zn(II) complexes with pyrazolone-based hydrazones
• Authors of publication: Marchetti, Fabio; Pettinari, Riccardo; Verdicchio, Federico; Tombesi, Alessia; Scuri, Stefania; Xhafa, Sonila; Olivieri, Laura; Pettinari, Claudio; Choquesillo-Lazarte, Duane; García-García, Amalia; Rodríguez Diéguez, Antonio; Galindo, Agustin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.3936 ± 0.0019 Å
• b: 10.9327 ± 0.0007 Å
• c: 17.3895 ± 0.0012 Å
• α: 90°
• β: 92.135 ± 0.004°
• γ: 90°
• Cell volume: 4634.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No