| Crystal data |
| Chemical formula |
C29H22ClFN4O |
|
M
r
|
496.95 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.4512 (2), 11.6756 (3), 12.7892 (3) |
| α, β, γ (°) |
106.100 (1), 101.492 (2), 97.612 (2) |
|
V (Å3) |
1164.29 (5) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.20 |
| Crystal size (mm) |
0.23 × 0.14 × 0.08 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX2 area detector |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
Tmin, Tmax
|
0.696, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17352, 5250, 4225 |
|
R
int
|
0.027 |
| (sin θ/λ)max (Å−1) |
0.651 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.038, 0.095, 1.04 |
| No. of reflections |
5250 |
| No. of parameters |
325 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.30, −0.26 |
