| Crystal data |
| Chemical formula |
C22H20FN5S |
|
M
r
|
405.49 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
297 |
|
a, b, c (Å) |
9.9283 (4), 11.5343 (5), 18.4694 (7) |
| α, β, γ (°) |
99.8886 (13), 94.9582 (14), 98.4315 (14) |
|
V (Å3) |
2047.54 (14) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.19 |
| Crystal size (mm) |
0.66 × 0.60 × 0.46 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII DUO CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
|
T
min, T
max
|
0.730, 0.830 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
78666, 12002, 7987 |
|
R
int
|
0.048 |
| (sin θ/λ)max (Å−1) |
0.707 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.053, 0.135, 1.02 |
| No. of reflections |
12002 |
| No. of parameters |
535 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.32, −0.35 |
