| Crystal data |
| Chemical formula |
C25H15Cl2NO4S |
|
M
r
|
496.34 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
295 |
|
a, b, c () |
8.0688(4), 9.9086(5), 14.4041(8) |
| , , () |
75.297(3), 80.604(2), 74.306(3) |
|
V (3) |
1066.83(10) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
0.44 |
| Crystal size (mm) |
0.28 0.24 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 1996 ▶) |
|
T
min, T
max
|
0.887, 0.925 |
| No. of measured, independent and observed [I > 2(I)] reflections |
35959, 6221, 3582 |
|
R
int
|
0.044 |
| (sin /)max (1) |
0.735 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.048, 0.126, 1.02 |
| No. of reflections |
6221 |
| No. of parameters |
302 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.44, 0.48 |
