| Crystal data |
| Chemical formula |
C13H14N2O3
|
|
M
r
|
246.26 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
6.0828 (9), 9.4246 (13), 11.1724 (16) |
| α, β, γ (°) |
75.838 (11), 83.099 (12), 84.059 (11) |
|
V (Å3) |
614.70 (16) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.72 × 0.39 × 0.16 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.944, 0.989 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6563, 2426, 1506 |
|
R
int
|
0.054 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.056, 0.147, 1.00 |
| No. of reflections |
2426 |
| No. of parameters |
165 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.17, −0.17 |
