Table 1. Crystallographic Refinement Details for 1–3.
1 | 2 | 3 | |
---|---|---|---|
MW (g/mol) | 1318.66 | 1244.59 | 1244.59 |
T (K) | 100(2) | 100(2) | 100(2) |
λ (K α) | 0.71073 | 0.71073 | 0.71073 |
μ (mm–1) | 8.775 | 9.686 | 9.660 |
crystal system | triclinic | triclinic | triclinic |
space group | P1̅ | P1̅ | P1̅ |
a (Å) | 9.2325(2) | 9.3216(3) | 9.2435(7) |
b (Å) | 11.1406(3) | 9.3590(3) | 9.6020(7) |
c (Å) | 11.2691(3) | 11.9812(3) | 11.7706(9) |
α (deg) | 76.880(1) | 111.959(2) | 92.797(2) |
β (deg) | 71.456(1) | 93.182(2) | 110.752(2) |
γ (deg) | 68.088(1) | 106.182(2) | 107.347(2) |
volume (Å3) | 1011.76(5) | 915.92(5) | 918.43(12) |
Z | 1 | 1 | 1 |
Rint | 0.0348 | 0.0442 | 0.0529 |
R (I > 2σ) | 0.0216 | 0.0304 | 0.0215 |
wR2 | 0.0461 | 0.0636 | 0.0538 |
GooF | 1.107 | 1.030 | 1.064 |
residual density max and min (e/Å3) | 0.96 and −0.74 | 1.56 and −1.17 | 2.10 and −1.49 |
CCDC no. | 2252259 | 2252257 | 2252258 |