Table 1.
Crystal data and structure refinements for compounds 1–2.
| Sample | 1 | 2 |
|---|---|---|
| Formula | C20H22CdN4O5 | C20H26ZnN4O7 |
| Fw | 510.81 | 499.82 |
| Crystal system | orthorhombic | monoclinic |
| Space group | Pbca | P21/n |
| a (Å) | 14.8291(18) | 7.5915(18) |
| b (Å) | 16.3662(19) | 16.968(4) |
| c (Å) | 16.828(2) | 17.665(4) |
| α(°) | 90 | 90 |
| β(°) | 90 | 100.936(4) |
| γ(°) | 90 | 90 |
| Volume (Å3) | 4084.0(8) | 2234.1(9) |
| Z | 8 | 4 |
| Density (calculated) | 1.662 | 1.486 |
| Abs. coeff. (mm−1) | 1.110 | 1.148 |
| Total reflections | 23820 | 17031 |
| Unique reflections | 4519 | 5005 |
| Goodness of fit on F2 | 1.090 | 1.070 |
| Final R indices [I > 2sigma(I2)] | R = 0.0189, wR2 = 0.0449 | R = 0.0525, wR2 = 0.1676 |
| R (all data) | R = 0.0201, wR2 = 0.0455 | R = 0.0612, wR2 = 0.1752 |
| CCDC | 2078360 | 2078361 |