Table 2.
Entry | Data |
formula | C10H9FN2O3 |
Mr | 224.19 |
crystal size, mm3 | 0.032 × 0.162 × 0.247 |
crystal system | orthorhombic |
space group | Pna21 |
cell constants | |
a, Å | 10.0315(3) |
b, Å | 15.4164(5) |
c, Å | 6.5161(2) |
V, Å3 | 1007.71(5) |
Z | 4 |
Dx, Mg m−3 | 1.48 |
μ, mm−1 | 1.06 |
F(000), e | 464 |
T, K | 100(2) |
λ, Å | 1.54178 |
2θmax, deg | 137 |
transmissions | 0.78–0.97 |
refl. meas./indep./Rint | 10003/1813/0.034 |
ref. parameters | 182 |
restraints | 118 |
R [F ≥ 4 σ(F)] | 0.032 |
wR (F2, all refl.) | 0.086 |
S | 1.05 |
Δρmax, e Å−3 | 0.145/−0.194 |