| Crystal data |
| Chemical formula |
C24H18N6O3
|
|
M
r
|
438.44 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
160 |
|
a, b, c (Å) |
8.2807 (1), 14.1554 (1), 17.5020 (2) |
| β (°) |
98.920 (1) |
|
V (Å3) |
2026.71 (4) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.81 |
| Crystal size (mm) |
0.24 × 0.09 × 0.09 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction SuperNova, dual radiation diffractometer |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2017 ▸) |
|
T
min, T
max
|
0.898, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19285, 4020, 3786 |
|
R
int
|
0.018 |
| (sin θ/λ)max (Å−1) |
0.624 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.031, 0.088, 1.05 |
| No. of reflections |
4020 |
| No. of parameters |
311 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.27, −0.17 |
