| Crystal data |
| Chemical formula |
C12H12BF2N3O |
|
M
r
|
263.06 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
6.8080 (4), 24.8217 (18), 14.4744 (9) |
| β (°) |
100.489 (6) |
|
V (Å3) |
2405.1 (3) |
|
Z
|
8 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.12 |
| Crystal size (mm) |
0.25 × 0.22 × 0.2 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction SuperNova, Dual, Cu at zero, Atlas S2 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.680, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11903, 4228, 3277 |
|
R
int
|
0.043 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.048, 0.116, 1.06 |
| No. of reflections |
4228 |
| No. of parameters |
349 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.26 |
