| Crystal data |
| Chemical formula |
C17H16N2O6
|
|
M
r
|
344.32 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
4.7565 (3), 11.3377 (9), 15.7590 (13) |
| α, β, γ (°) |
70.415 (4), 87.230 (4), 85.238 (4) |
|
V (Å3) |
797.73 (11) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.15 × 0.10 × 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEXIII CMOS |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.684, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
27199, 3642, 2484 |
|
R
int
|
0.049 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.061, 0.176, 1.06 |
| No. of reflections |
3642 |
| No. of parameters |
279 |
| No. of restraints |
148 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.30, −0.22 |
