Empirical formula C10H13ClN2O3
Formula weight 244.67
T (K) 293 (2)
Λ(Mo Ka) (Å) 0.71073
Crystal system Triclinic
Space group P-1
a (Å) 7.5866 (15)
b (Å) 8.6898 (18)
c (Å) 9.740 (2)
α (°) 91.172 (18)
β (°) 112.09 (2)
γ (°) 111.71 (2)
V (Å3) 543.2 (2)
Z 2
Dcalc (mg m-3) 1.496
μ (mm-1) 0.345
F (000) 256
Crystal size (mm3) 0.24 x 0.21 x 0.18
θ range (°) 3.11-29.00
Index ranges -10 ≤ h ≤ 9
-11 ≤ k ≤ 11
-12 ≤ l ≤ 13
Reflections collected 3579
Independent reflections 1205
Data/restraints/ parameters 2894/0/145
Goodness-of-fit on F2 0.973
Final R indices wR2[I>2σ(I)] (Rint) 0.0760, 0.1516
Final R indices (all data) 0.1561, 0.1950
Largest diff. peak/hole (e Å-3)  0.357, -0.415
image
Table 1: Crystallographic data for cemb molecule.