| Crystal data |
| Chemical formula |
C16H17N5O3
|
|
M
r
|
327.34 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.2061 (15), 10.237 (2), 10.694 (2) |
| α, β, γ (°) |
95.356 (3), 92.867 (3), 100.291 (3) |
|
V (Å3) |
771.0 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.10 |
| Crystal size (mm) |
0.25 × 0.24 × 0.13 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD |
| Absorption correction |
Multi-scan (TWINABS; Sheldrick, 2009 ▸) |
|
T
min, T
max
|
0.97, 0.99 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
14566, 14566, 7794 |
|
R
int
|
0.026 |
| (sin θ/λ)max (Å−1) |
0.686 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.151, 1.01 |
| No. of reflections |
14566 |
| No. of parameters |
286 |
| H-atom treatment |
All H-atom parameters refined |
| Δρmax, Δρmin (e Å−3) |
0.90, −0.53 |
