| Crystal data |
| Chemical formula |
2C9H10O3·C10H8N2
|
2C10H12O3·C10H8N2
|
2C11H14O3·C10H8N2
|
|
M
r
|
488.52 |
516.57 |
544.63 |
| Crystal system, space group |
Monoclinic, P21/n
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
93 |
93 |
93 |
|
a, b, c (Å) |
9.1090 (2), 20.9348 (5), 12.8738 (4) |
10.7592 (4), 10.8838 (3), 11.6462 (4) |
7.6645 (10), 8.5087 (13), 22.606 (3) |
| α, β, γ (°) |
90, 102.9429 (10), 90 |
86.6411 (11), 89.2313 (13), 73.8867 (12) |
80.498 (3), 86.486 (3), 80.082 (3) |
|
V (Å3) |
2392.60 (11) |
1307.95 (8) |
1431.5 (4) |
|
Z
|
4 |
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.10 |
0.09 |
0.09 |
| Crystal size (mm) |
0.28 × 0.25 × 0.10 |
0.50 × 0.40 × 0.10 |
0.53 × 0.41 × 0.11 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPIDII |
Rigaku R-AXIS RAPIDII |
Rigaku R-AXIS RAPIDIIr |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
28629, 6941, 6004 |
15909, 7507, 5980 |
12433, 5612, 3432 |
|
R
int
|
0.035 |
0.069 |
0.075 |
| (sin θ/λ)max (Å−1) |
0.703 |
0.703 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.045, 0.127, 1.04 |
0.047, 0.135, 1.04 |
0.069, 0.193, 1.01 |
| No. of reflections |
6941 |
7507 |
5610 |
| No. of parameters |
335 |
354 |
371 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.39, −0.37 |
0.35, −0.32 |
0.24, −0.41 |
