Information card for entry 7244415

Structure parameters

• Chemical name: dichloridobis(<i>N</i>-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide)cadmium(II)
• Formula: C24 H28 Cd Cl2 N8 O2
• Calculated formula: C24 H28 Cd Cl2 N8 O2
• SMILES: [Cd]1(Cl)(Cl)([O]=C(Nc2c(N)cccc2)Cc2[n]1[nH]c(c2)C)[n]1[nH]c(cc1CC(=O)Nc1c(N)cccc1)C
• Title of publication: Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity
• Authors of publication: Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 5324 - 5339
• a: 13.7075 ± 0.0008 Å
• b: 21.2787 ± 0.0013 Å
• c: 9.1536 ± 0.0006 Å
• α: 90°
• β: 95.127 ± 0.001°
• γ: 90°
• Cell volume: 2659.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No