| Crystal data |
| Chemical formula |
C18H15N3O4
|
C17H14ClN3O3
|
|
M
r
|
337.33 |
343.76 |
| Crystal system, space group |
Triclinic, P
|
Monoclinic, C2/c
|
| Temperature (K) |
298 |
298 |
|
a, b, c (Å) |
6.0847 (14), 8.5048 (19), 17.286 (4) |
42.24 (1), 10.233 (3), 7.496 (2) |
| α, β, γ (°) |
102.668 (7), 90.646 (6), 109.813 (8) |
90, 91.016 (11), 90 |
|
V (Å3) |
817.5 (3) |
3239.6 (15) |
|
Z
|
2 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.10 |
0.26 |
| Crystal size (mm) |
0.24 × 0.21 × 0.19 |
0.22 × 0.20 × 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEX CCD area-detector |
Bruker SMART APEX CCD area-detector |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4701, 3593, 1137 |
8758, 3650, 2733 |
|
R
int
|
0.087 |
0.117 |
| (sin θ/λ)max (Å−1) |
0.650 |
0.649 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.086, 0.282, 0.95 |
0.063, 0.182, 1.05 |
| No. of reflections |
3593 |
3650 |
| No. of parameters |
228 |
218 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.49, −0.33 |
0.25, −0.36 |
