| Crystal data |
| Chemical formula |
C16H24Cl2O2
|
|
M
r
|
319.25 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
173 |
|
a, b, c (Å) |
9.6745 (3), 13.9432 (6), 23.3654 (10) |
|
V (Å3) |
3151.8 (2) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.41 |
| Crystal size (mm) |
0.45 × 0.35 × 0.10 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur (Eos, Gemini ultra) |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
|
T
min, T
max
|
0.974, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16637, 5991, 5182 |
|
R
int
|
0.062 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.052, 0.134, 1.07 |
| No. of reflections |
5991 |
| No. of parameters |
376 |
| No. of restraints |
12 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.73, −0.46 |
| Absolute structure |
Flack x determined using 1835 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.03 (5) |
