| Crystal data |
| Chemical formula |
C21H26Cl2N2O2
|
|
M
r
|
409.34 |
| Crystal system, space group |
Orthorhombic, P
n
a21
|
| Temperature (K) |
173 |
|
a, b, c () |
20.1594(11), 17.8088(12), 5.6120(3) |
|
V (3) |
2014.8(2) |
|
Z
|
4 |
| Radiation type |
Mo K
|
| (mm1) |
0.34 |
| Crystal size (mm) |
0.22 0.11 0.09 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS II two circle |
| Absorption correction |
Multi-scan (X-AREA; Stoe Cie, 2001 ▸) |
|
T
min, T
max
|
0.891, 0.946 |
| No. of measured, independent and observed [I > 2(I)] reflections |
17730, 3708, 3280 |
|
R
int
|
0.080 |
| (sin /)max (1) |
0.604 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.035, 0.082, 1.00 |
| No. of reflections |
3708 |
| No. of parameters |
256 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.16, 0.20 |
| Absolute structure |
Flack x determined using 1338 quotients [(I
+)(I
)]/[(I
+)+(I
)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.00(4) |
