| Crystal data |
| Chemical formula |
C22H31N3O6S2
|
|
M
r
|
497.62 |
| Crystal system, space group |
Triclinic, P1 |
| Temperature (K) |
296 |
|
a, b, c (Å) |
7.7292 (10), 7.9892 (9), 11.2035 (13) |
| α, β, γ (°) |
108.300 (7), 92.553 (7), 101.499 (8) |
|
V (Å3) |
639.36 (14) |
|
Z
|
1 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.23 |
| Crystal size (mm) |
0.17 × 0.12 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.703, 0.808 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
3454, 2483, 2389 |
|
R
int
|
0.019 |
| (sin θ/λ)max (Å−1) |
0.592 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.115, 1.04 |
| No. of reflections |
2483 |
| No. of parameters |
298 |
| No. of restraints |
3 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.33, −0.21 |
| Absolute structure |
Flack x determined using 531 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.140 (12) |
