Table 1.
Identification code | 5 | 6 |
---|---|---|
Empirical formula | C15H13NO2 | C18H19NO4 |
M r/g cm−3 | 1.305 | 1.314 |
Space group | P2 1 /c | Iba2 |
Crystal system | Monoclinic | Orthorhombic |
a/Å | 18.877(4) | 13.1460(13) |
b/Å | 16.644(3) | 29.598(3) |
c/Å | 19.387(4) | 8.1392(6) |
α/° | 90 | 90 |
β/° | 91.781(10) | 90 |
γ/° | 90 | 90 |
V/Å3 | 6088(2) | 3166.9(5) |
Z | 20 | 8 |
μ/mm−1 | 0.087 | 0.093 |
Reflns collected | 126774 | 17995 |
Independent reflns | 15117 | 2924 |
R(int) | 0.0638 | 0.0776 |
GooF on F 2 | 1.025 | 1.033 |
R 1 [I > 2σ(I)] | 0.0579 | 0.0403 |
wR 2 (all data) | 0.1596 | 0.0943 |