| Crystal data |
| Chemical formula |
C26H24N3S+·Br−
|
|
M
r
|
490.45 |
| Crystal system, space group |
Monoclinic, C
c
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
14.5474 (7), 17.8777 (8), 9.0803 (4) |
| β (°) |
108.773 (2) |
|
V (Å3) |
2235.92 (18) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.95 |
| Crystal size (mm) |
0.22 × 0.12 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker D8 QUEST PHOTON 3 diffractometer |
| Absorption correction |
Numerical (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.69, 0.89 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
48057, 6797, 6460 |
|
R
int
|
0.026 |
| (sin θ/λ)max (Å−1) |
0.715 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.023, 0.052, 1.03 |
| No. of reflections |
6797 |
| No. of parameters |
280 |
| No. of restraints |
2 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.56, −0.22 |
| Absolute structure |
Parsons et al. (2013 ▸) |
| Absolute structure parameter |
0.0130 (18) |
