| Crystal data |
| Chemical formula |
C15H12N4O4
|
|
M
r
|
312.29 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
298 |
|
a, b, c (Å) |
12.1863 (9), 10.7079 (8), 11.1726 (8) |
| β (°) |
105.412 (8) |
|
V (Å3) |
1405.48 (19) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.49 × 0.46 × 0.28 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur, Eos, Gemini CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 2003 ▸) |
|
T
min, T
max
|
0.812, 0.969 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7121, 3113, 2311 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.051, 0.134, 1.07 |
| No. of reflections |
3113 |
| No. of parameters |
215 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.26, −0.25 |
