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 |
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