Research Article
Anion-Dependent Synthesis of Cu(II) Complexes with 2-(1H-Tetrazol-5-yl)-1H-indole: Synthesis, X-Ray Structures, and Radical Scavenging Activity
Table 1
Crystallographic data and details of structure refinement of the H2L ligand and coordination compounds 1 and 2.
| | Compound | H2L·MeOH | 1 | 2 |
| | Empirical formula | C10H11N5O | C39H38ClCuN11O7 | C44H34CuN14O | | Formula weight | 217.24 | 871.79 | 838.39 | | T (K) | 95 | 95 | 95 | | Crystal system, space group | Monoclinic, C 2/c | Triclinic, P–1 | Triclinic, P–1 | | Unit cell dimensions | | | | | a (Å) | 22.6910 (14) | 8.7031 (1) | 11.9157 (5) | | b (Å) | 7.0280 (3) | 14.9274 (2) | 13.0812 (6) | | c (Å) | 13.5206 (7) | 15.1670 (2) | 13.3817 (7) | | α (°) | 90 | 93.267 (1) | 68.410 (5) | | β (°) | 100.504 (5) | 97.193 (1) | 71.957 (4) | | γ (°) | 90 | 102.144 (1) | 89.768 (4) | | V (Å3) | 2120.0 (2) | 1904.09 (4) | 1829.80 (16) | | Z (Dc/g cm−3) | 8, 1.361 | 2, 1.521 | 2, 1.522 | | Absorption coefficient (mm−1) | 0.783 | 2.024 | 1.331 | | Crystal size (mm) | 0.37 × 0.16 × 0.04 | 0.36 × 0.21 × 0.08 | 0.16 × 0.10 × 0.06 | | F (000) | 912.0 | 902.0 | 866.0 | | Θ range for data collection (°) | 3.96 ≤ θ ≤ 74.66 | 2.95 ≤ θ ≤ 74.07 | 3.66 ≤ θ ≤ 74.65 | | Index ranges (h, k, l) | −25 ≤ h ≤ 27 | −10 ≤ h ≤ 10 | −14 ≤ h ≤ 14 | | | −8 ≤ k ≤ 8 | −18 ≤ k ≤ 18 | −11 ≤ k ≤ 16 | | | −16 ≤ l ≤ 7 | −12 ≤ l ≤ 18 | −16 ≤ l ≤ 16 | | Reflections collected/unique (Rint) | 3624/2097 (0.0205) | 13771/7499 (0.0183) | 12531/7230 (0.0261) | | Data/restraints/parameters | 2097/0/147 | 7499/0/536 | 7230/0/543 | | Goodness-of-fit on F2 | 1.094 | 1.069 | 1.019 | | Final R indices [I > 2σ (I)] | R 1 = 0.0613, wR2 = 0.1619 | R 1 = 0.0310, wR2 = 0.0819 | R 1 = 0.0374, wR2 = 0.0925 | | R indices (all data) | R 1 = 0.0667, wR2 = 0.1669 | R 1 = 0.0334, wR2 = 0.0842 | R 1 = 0.0457, wR2 = 0.0980 | | Largest peak and hole/e Å−3 | 0.595/−0.396 | 0.482/−0.503 | 0.835/−0.656 |
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