| Crystal data |
| Chemical formula |
C23H21ClN2O3
|
C24H22N2O3
|
|
M
r
|
408.87 |
386.43 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Monoclinic, P21/c
|
| Temperature (K) |
173 |
173 |
|
a, b, c (Å) |
27.9446 (4), 8.4311 (1), 35.0101 (5) |
10.3486 (2), 13.9969 (3), 27.5353 (5) |
| α, β, γ (°) |
90, 90, 90 |
90, 93.797 (2), 90 |
|
V (Å3) |
8248.51 (19) |
3979.69 (14) |
|
Z
|
16 |
8 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
1.86 |
0.69 |
| Crystal size (mm) |
0.16 × 0.10 × 0.05 |
0.12 × 0.08 × 0.04 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction Xcalibur, Eos, Gemini |
Rigaku Oxford Diffraction Xcalibur, Eos, Gemini |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.614, 1.000 |
0.945, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
64509, 7983, 6950 |
15107, 7579, 5380 |
|
R
int
|
0.043 |
0.027 |
| (sin θ/λ)max (Å−1) |
0.615 |
0.615 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.050, 0.132, 1.04 |
0.049, 0.139, 1.04 |
| No. of reflections |
7983 |
7579 |
| No. of parameters |
541 |
555 |
| No. of restraints |
0 |
36 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.66, −0.55 |
0.25, −0.16 |
