Table 1  Crystal data and structure refinement for FL

Empirical formula

C₁₂H₈F₃N₅O₃S

Formula weight

359.29

Temperature/K

296.15

Crystal system

triclinic

Space group

P−1

a/Å

8.0462(11)

b/Å

9.7649(12)

c/Å

10.3531(13)

α/°

115.411(4)

β/°

91.524(4)

γ/°

95.045(4)

Volume/ų

730.03(16)

Z

2

ρ_calcg/cm³

1.635

µ/mm^− 1

0.281

F(000)

364.0

Crystal size/mm³

0.33 × 0.29 × 0.24

Radiation

MoKα (λ = 0.71073)

2θ range for data collection/°

4.804 to 56.852

Index ranges

−10 ≤ h ≤ 10, −11 ≤ k ≤ 12, −13 ≤ l ≤ 12

Reflections collected

19,293

Independent reflections

3518 [R_int = 0.0426, R_sigma = 0.0324]

Data/restraints/parameters

3518/0/218

Goodness-of-fit on F²

1.037

Final R indexes [I > = 2σ (I)]

R₁ = 0.0522, wR₂ = 0.1498

Final R indexes [all data]

R₁ = 0.0610, wR₂ = 0.1588

Largest diff. peak/hole/e Å⁻³

0.43/−0.45