| Crystal data |
| Chemical formula |
C18H16N2O3
|
|
M
r
|
308.33 |
| Crystal system, space group |
Triclinic, P\overline{1} |
| Temperature (K) |
120 |
|
a, b, c (Å) |
5.3518 (6), 11.6989 (14), 13.3527 (16) |
| α, β, γ (°) |
64.019 (2), 80.323 (2), 76.952 (2) |
|
V (Å3) |
729.83 (15) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.42 × 0.18 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.87, 0.99 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14193, 3909, 2929 |
|
R
int
|
0.028 |
| (sin θ/λ)max (Å−1) |
0.688 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.049, 0.142, 1.00 |
| No. of reflections |
3909 |
| No. of parameters |
272 |
| H-atom treatment |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.47, −0.23 |
