| Crystal data |
| Chemical formula |
C20H16ClO2P |
C18H21O2P |
|
M
r
|
354.75 |
300.32 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Monoclinic, P21
|
| Temperature (K) |
173 |
173 |
|
a, b, c (Å) |
11.7380 (2), 14.4453 (3), 19.9515 (3) |
8.3416 (2), 10.5161 (2), 10.2790 (2) |
| α, β, γ (°) |
90, 90, 90 |
90, 112.212 (1), 90 |
|
V (Å3) |
3382.95 (10) |
834.77 (3) |
|
Z
|
8 |
2 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
2.97 |
1.47 |
| Crystal size (mm) |
0.36 × 0.17 × 0.13 |
0.43 × 0.14 × 0.08 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
Bruker SMART APEX CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2013 ▸) |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.599, 0.754 |
0.631, 0.754 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17900, 3297, 2880 |
7043, 3006, 2774 |
|
R
int
|
0.033 |
0.042 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.089, 1.04 |
0.042, 0.118, 1.13 |
| No. of reflections |
3297 |
3006 |
| No. of parameters |
217 |
193 |
| No. of restraints |
0 |
1 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.32, −0.39 |
0.49, −0.38 |
| Absolute structure |
– |
Flack x determined using 1090 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
– |
0.088 (14) |
