| Crystal data |
| Chemical formula |
C23H16S |
C26H16S |
|
M
r
|
324.42 |
360.45 |
| Crystal system, space group |
Triclinic, P
|
Orthorhombic, P
c
c
n
|
| Temperature (K) |
296 |
296 |
|
a, b, c (Å) |
6.2404 (3), 11.1725 (6), 12.9987 (7) |
12.2159 (8), 33.1138 (4), 8.8993 (5) |
| α, β, γ (°) |
109.284 (2), 100.233 (4), 93.925 (2) |
90, 90, 90 |
|
V (Å3) |
833.90 (8) |
3599.9 (3) |
|
Z
|
2 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.19 |
0.19 |
| Crystal size (mm) |
0.30 × 0.25 × 0.20 |
0.30 × 0.25 × 0.25 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.944, 0.962 |
0.946, 0.955 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15861, 2944, 2407 |
43542, 3171, 2540 |
|
R
int
|
0.024 |
0.036 |
| (sin θ/λ)max (Å−1) |
0.595 |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.113, 1.07 |
0.059, 0.182, 1.04 |
| No. of reflections |
2944 |
3171 |
| No. of parameters |
218 |
244 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.21 |
1.06, −0.40 |
