Information card for entry 7707146

Structure parameters

• Chemical name: JPL-175
• Formula: C26 H18 N6 O3 S Zn
• Calculated formula: C26 H18 N6 O3 S Zn
• SMILES: [Zn]123(SC(Nc4ccccc4)=N[N]2=Cc2c(O1)c(N(=O)=O)ccc2)[n]1c2c(ccc1)ccc1ccc[n]3c21
• 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: 9.5596 ± 0.0007 Å
• b: 30.0912 ± 0.0014 Å
• c: 9.0688 ± 0.0005 Å
• α: 90°
• β: 112.729 ± 0.008°
• γ: 90°
• Cell volume: 2406.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No