C18H16N4O3
|
α = 118.323 (7)° |
FW = 336.35 |
β = 91.750 (8)° |
Triclinic, P
|
γ = 104.198 (7)° |
a = 9.033 (6) Å |
V = 800.2 (9) Å3
|
b = 10.136 (7) Å |
Z = 2 |
c = 10.396 (7) Å |
μ = 0.098 mm−1
|
F (000) = 352 |
Cryatal size (mm3): 0.38 × 0.40 × 0.45 |
Data Collection |
Tmin = 0.9559, Tmax = 0.9642 |
2715 observed reflections with I > 2σ(I) |
6357 measured reflections |
Rint = 0.031 |
3195 independent reflections |
θmin = 2.3°, θmax = 26.4° |
Refinement |
229 parameters |
R indices (all data) R1 = 0.0475, wR2 = 0.1284 |
Goodness-of-fit: 1.054 |
R indices [I > 2σ(I)] R1 = 0.0408, wR2 = 0.1212 |
Δρmax = 0.22 eÅ−3, Δρmin = −0.23 eÅ−3
|
w [P = (Fo2+ 2Fc2)/3] = 1/[σ2(Fo2) + (0.0680P)2 + 0.1590P] |