| Crystal data |
| Chemical formula |
C18H20NOS+·Cl−
|
|
M
r
|
333.86 |
| Crystal system, space group |
Orthorhombic, P
n
a21
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
14.587 (3), 17.250 (3), 6.8040 (14) |
|
V (Å3) |
1712.1 (6) |
|
Z
|
4 |
| Radiation type |
Synchrotron, λ = 0.71073 Å |
| μ (mm−1) |
0.35 |
| Crystal size (mm) |
0.04 × 0.02 × 0.01 |
| |
| Data collection |
| Diffractometer |
3-BM1 Australian Synchrotron |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
18750, 2573, 2546 |
|
R
int
|
0.022 |
| θmax (°) |
23.9 |
| (sin θ/λ)max (Å−1) |
0.569 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.025, 0.066, 1.10 |
| No. of reflections |
2573 |
| No. of parameters |
200 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.13, −0.31 |
| Absolute structure |
Flack x determined using 1143 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.048 (12) |
