Table 1. Summary of the crystal structure analyses of 2B, 2G, and 2Y.
2B | 2G | 2Y | |
CCDC number | 1035806 | 1035808 | 1035810 |
Specimen | Single crystal | Single crystal | Powder |
Crystal system | Triclinic | Triclinic | Monoclinic |
Space group | P1 (#2) | P1 (#2) | P21/c (#14) |
a/Å | 3.5452(4) | 3.5707(3) | 7.79058(18) |
b/Å | 14.0087(15) | 10.3087(10) | 18.7202(5) |
c/Å | 14.2490(15) | 14.2742(11) | 6.74157(17) |
α/° | 109.292(3) | 107.689(4) | 90 |
β/° | 91.673(3) | 92.505(5) | 103.167(3) |
γ/° | 91.322(2) | 100.205(5) | 90 |
V/Å3 | 667.23(13) | 489.99(8) | 957.35(5) |
Z value | 1 | 1 | 2 |
D calc/g cm–3 | 2.335 | 2.786 | — |
R 1 a /% | 4.73 | 10.08 | — |
wR2 b /% | 10.55 | 25.46 | — |
GOF c | 1.152 | 1.114 | — |
R wp/% | — | — | 4.62 |
R p/% | — | — | 3.60 |
R F2/% | — | — | 2.74 |
aFor data with I > 2.00σ(I).
bFor all reflection data.
cGoodness of fit.