| Crystal data |
| Chemical formula |
C30H24N6
|
C60H36N6·2CH2Cl2
|
|
M
r
|
468.55 |
1010.80 |
| Crystal system, space group |
Orthorhombic, P
b
c
n
|
Triclinic, P
|
| Temperature (K) |
153 |
100 |
|
a, b, c (Å) |
11.6178 (8), 15.7762 (8), 12.8621 (7) |
9.2629 (4), 16.3829 (6), 18.4366 (6) |
| α, β, γ (°) |
90, 90, 90 |
64.2659 (13), 78.2616 (15), 88.3530 (17) |
|
V (Å3) |
2357.4 (2) |
2461.98 (16) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.08 |
0.29 |
| Crystal size (mm) |
0.50 × 0.38 × 0.25 |
0.30 × 0.12 × 0.10 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS |
Bruker APEXII CCD |
| Absorption correction |
– |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
– |
0.970, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
23121, 2361, 1286 |
87137, 14377, 11804 |
|
R
int
|
0.057 |
0.043 |
| (sin θ/λ)max (Å−1) |
0.621 |
0.704 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.080, 0.75 |
0.039, 0.107, 1.02 |
| No. of reflections |
2361 |
14377 |
| No. of parameters |
166 |
649 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.16, −0.15 |
0.84, −0.84 |
