Research Article
Synthesis, Structure, and Biologic Activity of Some Copper, Nickel, Cobalt, and Zinc Complexes with 2-Formylpyridine N4-Allylthiosemicarbazone
Table 1
Crystal and structure refinement data for HL, HLa, HLb, 4, and 5.
| | Compound | HL | HLa | HLb | 4 | 5 |
| | CCDC | 2129913 | 2129912 | 2129910 | 2129911 | 2129914 | | Empirical formula | C10H12N4S | C10H12N4S | C10H12N4S | C24H36Cu2N8O8S2 | C20H26Cl2N8NiOS2 | | Formula weight | 220.3 | 220.3 | 220.3 | 755.83 | 588.2 | | Temperature/K | 293 | 293 | 293 | 293 | 293 | | Radiation, 0.71073 (Å) | MoKα | MoKα | MoKα | MoKα | MoKα | | Crystal system | Monoclinic | Monoclinic | Monoclinic | Monoclinic | Monoclinic | | Space group | P21 | C2/c | P21/c | P21/c | P21/c | | a (Å) | 10.919 (2) | 10.121 (2) | 12.5635 (6) | 8.6275 (13) | 19.3092 (8) | | b (Å) | 4.2978 (7) | 10.003 (2) | 10.6121 (7) | 22.8273 (17) | 16.5371 (7) | | c (Å) | 12.8929 (16) | 22.991 (3) | 26.1172 (8) | 8.9748 (9) | 8.4168 (4) | | α (°) | 90 | 90 | 90 | 90 | 90 | | β (°) | 112.089 (17) | 91.801 (16) | 93.871 (3) | 115.776 (15) | 97.227 (5) | | γ (°) | 90 | 90 | 90 | 90 | 90 | | V (Å3) | 560.63 (17) | 2326.5 (7) | 3474.1 (3) | 1591.7 (4) | 2666.3 (2) | | Z | 2 | 8 | 12 | 2 | 4 | | ρcalc (g cm−3) | 1.305 | 1.258 | 1.264 | 1.577 | 1.465 | | μMo (mm−1) | 0.261 | 0.252 | 0.253 | 1.525 | 1.114 | | F(000) | 232 | 928 | 1392 | 780 | 1216 | | Crystal size (mm) | 0.3 × 0.35 × .27 | 0.25 × 0.3 × 0.35 | 0.25 × 0.3 × 0.35 | 0.3 × 0.2 × 0.35 | 0.35 × 0.003 × 0.00 | | θ range (°) | 3.2 : 5.0 | 3.0 : 25.0 | 3.0 : 25.5 | 2.9, 25.0 | 3.0 : 25.5 | | Indexes ranges, h | −7 : 13 | −12 : 6 | −14 : 15 | −10 : 10 | 23 : 13 | | K | −5 : 5 | −6 : 11 | −12 : 8 | −27 : 26 | −19 : 19 | | L | −14 : 15 | −24 : 27 | −31 : 22 | −10 : 10 | −10 : 10 | | Reflections collected | 1959 | 3683 | 12768 | 6491 | 9602 | | Independent reflections | 1570 | 2050 | 6422 | 2819 | 4947 | | R(int) | 0.027 | 0.062 | 0.034 | 0.045 | 0.04 | | Reflections with I > 2σ (I) | 1323 | 735 | 3543 | 1984 | 3229 | | Number of refined parameters | 136 | 136 | 403 | 214 | 313 | | Goodness-of-fit, F2 (S) | 1.0 | 0.87 | 1.02 | 1.1 | 1.01 | | R1 (for I > 2σ (I)) | 0.0479 | 0.0656 | 0.0608 | 0.048 | 0.0605 | | R1w | 0.1110 | 0.089 | 0.1328 | 0.0508 | 0.1371 | | R(for all reflections) | 0.0581 | 0.2117 | 0.1328 | 0.0812 | 0.1001 | | R1w | 0.1203 | 0.1236 | 0.1574 | 0.0551 | 0.1577 | | Δρmax/Δρmin (e⋅Å−3) | −0.18, 0.23 | −0.15, 0.20 | −0.53, 0.59 | −0.45, 0.47 | −0.45, 0.76 |
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