Table 3.
Details of the X-ray Data Collections and Refinements for Compounds 12, 14 and 16.
Compound | |||
---|---|---|---|
12 | 14 | 16 | |
Formula | C18H17BrN2Se | C20H19ClN2O2Se | C25H22N2OSe |
M | 420.21 | 433.80 | 445.42 |
Crystal system | monoclinic | orthorhombic | monoclinic |
Space group | P21 | Pbca | P21/c |
a/Å | 10.6448(10) | 27.974(16) | 10.1342(7) |
b/Å | 7.4660(7) | 17.910(11) | 14.6025(10) |
c/Å | 11.5064(11) | 7.817(5) | 27.942(2) |
α | 90 | 90 | 90 |
β | 116.039(3) | 90 | 90.421(4) |
γ | 90 | 90 | 90 |
U/A3 | 821.64(14) | 3916(4) | 4134.9(5) |
Z | 2 | 8 | 8 |
µ/cm−1 | 47.219 | 20.701 | 18.350 |
Reflections collected | 6350 | 26,522 | 31,646 |
Independent reflections | 2839 | 3437 | 7262 |
Rint | 0.0536 | 0.0694 | 0.2391 |
R1 | 0.0309 | 0.0422 | 0.0701 |
wR2 [I > 2σ(I)] | 0.0639 | 0.0975 | 0.1456 |