| Crystal data |
| Chemical formula |
C4H4FN3O·C7H6O2
|
|
M
r
|
251.22 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
297 |
|
a, b, c (Å) |
4.2126 (1), 9.6687 (1), 26.8628 (5) |
| β (°) |
94.186 (1) |
|
V (Å3) |
1091.21 (3) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.07 |
| Crystal size (mm) |
0.27 × 0.21 × 0.17 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, HyPix |
| Absorption correction |
Analytical (CrysAlis PRO; Rigaku OD, 2023 ▸) |
|
Tmin, Tmax
|
0.782, 0.840 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
19824, 2243, 2127 |
|
R
int
|
0.019 |
| (sin θ/λ)max (Å−1) |
0.630 |
| |
| Refinement |
|
R[F2 > 2σ(F2)], wR(F2), S
|
0.034, 0.101, 1.04 |
| No. of reflections |
2243 |
| No. of parameters |
180 |
| No. of restraints |
4 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.19 |
