| Crystal data |
| Chemical formula |
C23H27NO2S |
C21H21NO2S |
C20H21NO3S |
|
M
r
|
381.52 |
351.45 |
355.44 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
293 |
293 |
293 |
|
a, b, c (Å) |
10.7330 (3), 7.7568 (2), 24.9436 (7) |
8.1882 (3), 10.4987 (4), 10.9594 (4) |
11.2629 (11), 13.2117 (11), 24.041 (3) |
| α, β, γ (°) |
90, 98.485 (1), 90 |
104.554 (1), 90.983 (1), 90.134 (1) |
90, 90, 90 |
|
V (Å3) |
2053.92 (10) |
911.74 (6) |
3577.3 (6) |
|
Z
|
4 |
2 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.18 |
0.19 |
0.20 |
| Crystal size (mm) |
0.35 × 0.30 × 0.25 |
0.35 × 0.30 × 0.25 |
0.35 × 0.30 × 0.25 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII CCD |
Bruker SMART APEXII CCD |
Bruker SMART APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.941, 0.958 |
0.935, 0.953 |
0.932, 0.951 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
16824, 3616, 3170 |
19010, 3210, 2790 |
37913, 3151, 2536 |
|
R
int
|
0.019 |
0.020 |
0.033 |
| (sin θ/λ)max (Å−1) |
0.595 |
0.595 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.111, 1.06 |
0.038, 0.115, 1.07 |
0.046, 0.111, 1.12 |
| No. of reflections |
3616 |
3210 |
3151 |
| No. of parameters |
272 |
229 |
229 |
| No. of restraints |
107 |
0 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.24, −0.27 |
0.26, −0.32 |
0.22, −0.22 |
