| Crystal data |
| Chemical formula |
C14H14N4O2·2C8H8O2
|
|
M
r
|
542.58 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
6.8948 (5), 9.7219 (5), 9.9621 (7) |
| α, β, γ (°) |
82.971 (5), 81.638 (6), 85.686 (5) |
|
V (Å3) |
654.58 (8) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.21 × 0.15 × 0.10 |
| |
| Data collection |
| Diffractometer |
Agilent Technologies SuperNova Dual diffractometer with an Atlas detector |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
|
T
min, T
max
|
0.580, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15067, 2993, 2358 |
|
R
int
|
0.044 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.106, 1.06 |
| No. of reflections |
2993 |
| No. of parameters |
188 |
| No. of restraints |
2 |
| Δρmax, Δρmin (e Å−3) |
0.34, −0.23 |
