| Crystal data |
| Chemical formula |
C15H18ClN5O2
|
|
M
r
|
335.79 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
10.8355 (2), 10.8865 (2), 14.5653 (2) |
| β (°) |
106.481 (2) |
|
V (Å3) |
1647.54 (5) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.20 |
| Crystal size (mm) |
0.36 × 0.34 × 0.17 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur (Atlas, Gemini ultra) |
| Absorption correction |
Analytical (CrysAlis PRO; Agilent, 2013 ▸) |
|
T
min, T
max
|
0.518, 0.721 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
33842, 5824, 5486 |
|
R
int
|
0.050 |
| (sin θ/λ)max (Å−1) |
0.596 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.036, 0.098, 1.03 |
| No. of reflections |
5824 |
| No. of parameters |
431 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.17, −0.25 |
| Absolute structure |
Flack x determined using 2460 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.012 (6) |
