| Crystal data |
| Chemical formula |
C15H14ClN5O2
|
|
M
r
|
331.76 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
7.1533 (16), 11.936 (3), 9.004 (2) |
| β (°) |
98.128 (5) |
|
V (Å3) |
761.1 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.27 |
| Crystal size (mm) |
0.22 × 0.17 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2002 ▸) |
|
T
min, T
max
|
0.580, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4542, 2915, 2673 |
|
R
int
|
0.030 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.100, 1.04 |
| No. of reflections |
2915 |
| No. of parameters |
211 |
| No. of restraints |
1 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.30 |
| Absolute structure |
Flack x determined using 1139 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.00 (4) |
