| Crystal data |
| Chemical formula |
C15H14N2O5
|
|
M
r
|
302.28 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
6.9293 (5), 7.3270 (5), 15.7411 (11) |
| α, β, γ (°) |
94.198 (6), 96.189 (6), 116.053 (5) |
|
V (Å3) |
707.27 (9) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.74 × 0.49 × 0.28 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.947, 0.972 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10204, 2776, 2011 |
|
R
int
|
0.109 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.039, 0.114, 1.09 |
| No. of reflections |
2776 |
| No. of parameters |
203 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.16, −0.15 |
