| Crystal data |
| Chemical formula |
C14H14N4O2·2C7H6O2
|
|
M
r
|
514.53 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.6543 (2), 9.9235 (2), 14.1670 (3) |
| α, β, γ (°) |
100.755 (2), 108.318 (2), 95.617 (2) |
|
V (Å3) |
1247.90 (5) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.81 |
| Crystal size (mm) |
0.12 × 0.07 × 0.05 |
| |
| Data collection |
| Diffractometer |
Rigaku XtaLAB Synergy Dualflex AtlasS2 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.832, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
31534, 5220, 4736 |
|
R
int
|
0.031 |
| (sin θ/λ)max (Å−1) |
0.630 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.034, 0.093, 1.02 |
| No. of reflections |
5220 |
| No. of parameters |
359 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.21, −0.28 |
