| Compound |
2a |
2b |
2c |
| Crystal system |
Monoclinic |
Monoclinic |
Monoclinic |
| Space group |
P21/c |
P21/c |
P21/c |
| Unit cell dimensions |
| a(Å) |
17.651(4) |
6.3082(3) |
5.7947(12) |
| b(Å) |
5.8253(14) |
26.4257(14) |
16.576(4) |
| c(Å) |
19.925(4) |
11.5607(6) |
20.465(4) |
| β(°) |
108.344(7) |
98.802(3) |
106.312(11) |
| Volume (Å&a3) |
1944.6(7) |
1904.46(17) |
1886.7(7) |
| Z |
4 |
4 |
4 |
| Density Calculated (Mg/m3) |
1.235 |
1.261 |
1.272 |
| Absorption coefficient (mm-1) |
0.079 |
0.081 |
0.082 |
| F(000) |
768 |
768 |
768 |
| Crystal size (mm3) |
0.25×0.2×0.2 |
0.32×0.19×0.04 |
0.41×0.14×0.07 |
| θ range (°) |
2.11 to 26.23 |
1.54 to 25.39 |
1.61 to 26.47 |
| Inde× ranges |
| h |
-21 to 21 |
-7 to 7 |
-7 to 7 |
| k |
-7 to 7 |
-30 to 31 |
-19 to 20 |
| l |
-24 to 15 |
-13 to 13 |
-25 to 23 |
| Reflections collected |
14313 |
9930 |
14347 |
| Independent reflections |
3881 |
3410 |
3858 |
| R(int) |
0.0459 |
0.0500 |
0.0223 |
| Completeness to θ = 25° (%) |
99.1 |
99.3 |
99.2 |
| Data / restraints / parameters |
3881 / 0 / 245 |
3410 / 0 / 244 |
3858 / 0 / 246 |
| Goodness-of-fit on F2 |
1.064 |
1.021 |
1.044 |
| Final R1 indices [I>2σ(I)] |
0.0410 |
0.0542 |
0.0399 |
| Final wR2 indices [I>2σ(I)] |
0.1276 |
0.1325 |
0.1059 |
| R indices (all data) |
0.0577 |
0.0908 |
0.0544 |
| R indices (all data) |
0.1442 |
0.1532 |
0.1146 |
| Extinction coefficient |
0.0113(19) |
|
0.0083(12) |
| Largest diff. peak / hole (e.Å-3) |
0.214 / -0.174 |
0.156 / -0.167 |
0.168 / -0.152 |