| Crystal data |
| Chemical formula |
C14H11N3O3
|
|
M
r
|
269.26 |
| Crystal system, space group |
Monoclinic, P
c
|
| Temperature (K) |
180 |
|
a, b, c (Å) |
14.1447 (14), 11.8380 (12), 7.4252 (8) |
| β (°) |
96.681 (7) |
|
V (Å3) |
1234.9 (2) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.18 × 0.02 × 0.02 |
| |
| Data collection |
| Diffractometer |
Bruker SMART
APEX
|
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.70, 0.75 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
25051, 6667, 2803 |
|
R
int
|
0.111 |
| (sin θ/λ)max (Å−1) |
0.715 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.064, 0.158, 0.94 |
| No. of reflections |
6667 |
| No. of parameters |
363 |
| No. of restraints |
2 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.46, −0.32 |
| Absolute structure |
Flack x determined using 891 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.6 (10) |
