Information card for entry 7711053

Structure parameters

• Formula: C24 H21 N5 O3
• Calculated formula: C24 H21 N5 O3
• SMILES: c1(ccccc1)N1C(=O)/C(=C(Cc2ccccc2)\NNc2ccc(cc2)N(=O)=O)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: 8.853 ± 0.0008 Å
• b: 9.659 ± 0.0008 Å
• c: 12.8829 ± 0.0012 Å
• α: 85.651 ± 0.003°
• β: 74.757 ± 0.003°
• γ: 78.819 ± 0.003°
• Cell volume: 1042.34 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No