| Crystal data |
| Chemical formula |
C16H13Cl2N5
|
|
M
r
|
346.21 |
| Crystal system, space group |
Monoclinic, C
c
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
8.6598 (2), 16.0275 (5), 11.6590 (3) |
| β (°) |
90.7364 (9) |
|
V (Å3) |
1618.08 (8) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.41 |
| Crystal size (mm) |
0.30 × 0.03 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker D8 QUEST PHOTON-III CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.880, 0.980 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
21346, 5861, 4528 |
|
R
int
|
0.064 |
| (sin θ/λ)max (Å−1) |
0.758 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.044, 0.090, 1.03 |
| No. of reflections |
5861 |
| No. of parameters |
217 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.32 |
| Absolute structure |
Flack x determined using 1774 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
0.27 (3) |
