Information card for entry 7707144

Structure parameters

• Formula: C24 H18 N6 O3 S Zn
• Calculated formula: C24 H18 N6 O3 S Zn
• SMILES: [Zn]123(SC(=N[N]2=Cc2cccc(N(=O)=O)c2O1)Nc1ccccc1)[n]1ccccc1c1[n]3cccc1
• Title of publication: Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.
• Authors of publication: Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6823 - 6833
• a: 9.63257 ± 0.00014 Å
• b: 16.0028 ± 0.0003 Å
• c: 31.8147 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4904.18 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No