Chem 3D | ChemSketch | Differernce (Opt-Act) | |||||||||
Measurements | Serial Number | Actual | Optimal | Value | Chem 3D | ChemSketch | |||||
C(1)-C(2) Bond | C(2)-C(3) | 1.526 | 1.515 | 1.53 | -0.011 | -0.015 | |||||
C(1)-Cl(4) Bond | Cl-C(3) | 1.799 | 1.795 | 1.7699 | -0.004 | 0.0251 | |||||
C(1)-H(5) Bond | C(3)-H(10) | 1.109 | 1.108 | 1.0001 | -0.001 | 0.1079 | |||||
C(2)-C(3) Bond | C(2)-C(1) | 1.534 | 1.523 | 1.5299 | -0.011 | -0.0069 | |||||
C(2)-H(7) Bond | C(2)-H(8) | 1.117 | 1.113 | 1 | -0.004 | 0.113 | |||||
C(3)-H(11) Bond | C91)-H(6) | 1.115 | 1.113 | 1 | -0.002 | 0.113 | |||||
C(2)-C(1)-Cl(4) Angle | C(2)-C(3)-Cl | 111.126 | 108.2 | 120 | -2.926 | -11.8 | |||||
C(1)-C(2)-C(3) Angle | C(1)-C(2)-C(3) | 111.409 | 109.5 | 109.426 | -1.909 | 0.074 | |||||
Cl(4)-C(1)-C(2)-C(3) Angle | Cl-C(3)-C(2)-C(1) | -180 | 179.987 | 180 | -179.987 | ||||||
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