Information card for entry 7058554

Structure parameters

• Formula: C8 H9 Br Cu N4 S
• Calculated formula: C8 H9 Br Cu N4 S
• Title of publication: Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans
• Authors of publication: Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11727
• a: 18.4808 ± 0.0004 Å
• b: 7.8416 ± 0.0001 Å
• c: 16.8857 ± 0.0004 Å
• α: 90°
• β: 117.093 ± 0.003°
• γ: 90°
• Cell volume: 2178.54 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No