| Crystal data |
| Chemical formula |
C15H12N2O2S |
|
M
r
|
284.33 |
| Crystal system, space group |
Orthorhombic, P
n
a21
|
| Temperature (K) |
120 |
|
a, b, c () |
35.623(2), 3.8172(2), 18.6525(8) |
|
V (3) |
2536.4(2) |
|
Z
|
8 |
| Radiation type |
Cu K
|
| (mm1) |
2.30 |
| Crystal size (mm) |
0.38 0.09 0.06 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova (Dual, Cu at zero, Atlas) |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2012 ▸) |
|
T
min, T
max
|
0.573, 0.863 |
| No. of measured, independent and observed [I > 2(I)] reflections |
6990, 3895, 3677 |
|
R
int
|
0.045 |
| (sin /)max (1) |
0.630 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.073, 0.189, 1.09 |
| No. of reflections |
3895 |
| No. of parameters |
364 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
1.01, 0.74 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.65(5) |
