| Crystal data |
| Chemical formula |
C26H18BrN |
|
M
r
|
424.32 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
13.0619 (17), 7.6891 (10), 20.475 (3) |
| β (°) |
106.809 (14) |
|
V (Å3) |
1968.6 (5) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
2.10 |
| Crystal size (mm) |
0.48 × 0.39 × 0.30 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur, Atlas, Gemini |
| Absorption correction |
Analytical (CrysAlis RED; Agilent, 2012 ▸) |
|
T
min, T
max
|
0.432, 0.572 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
12046, 3999, 3115 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.049, 0.129, 1.05 |
| No. of reflections |
3999 |
| No. of parameters |
257 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.81, −1.40 |
