| Crystal data |
| Chemical formula |
C17H20ClNO5
|
C19H24ClNO5
|
|
M
r
|
353.79 |
381.84 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
150 |
150 |
|
a, b, c (Å) |
14.654 (3), 8.9148 (17), 13.045 (2) |
14.6986 (13), 10.6309 (10), 25.131 (2) |
| β (°) |
102.581 (3) |
90.1851 (14) |
|
V (Å3) |
1663.2 (5) |
3926.9 (6) |
|
Z
|
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.26 |
0.22 |
| Crystal size (mm) |
0.34 × 0.32 × 0.10 |
0.48 × 0.44 × 0.21 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII CCD |
Bruker SMART APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2008 ▸) |
Multi-scan (SADABS; Sheldrick, 2008 ▸) |
|
T
min, T
max
|
0.885, 0.975 |
0.841, 0.954 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
21434, 5291, 4023 |
67292, 12630, 10320 |
|
R
int
|
0.041 |
0.026 |
| (sin θ/λ)max (Å−1) |
0.726 |
0.727 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.111, 1.05 |
0.039, 0.115, 1.03 |
| No. of reflections |
5291 |
12630 |
| No. of parameters |
224 |
584 |
| No. of restraints |
0 |
399 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.41, −0.25 |
0.64, −0.35 |
