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Geometry for CH3CHCH (1-propenyl radical) 2A' CS

1910171554
InChI=1S/C3H5/c1-3-2/h1,3H,2H3 INChIKey=ZLRGTQBGRLOXCT-UHFFFAOYSA-N

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4513 0.0000   0.2003 0.4045 0.0000
C2 1.3174 0.3156 0.0000   1.3206 -0.3018 0.0000
C3 -0.9840 -0.6880 0.0000   -1.1871 -0.1799 0.0000
H4 -0.4156 1.4524 0.0000   0.2721 1.4860 0.0000
H5 2.1431 0.9992 0.0000   2.3639 -0.0558 0.0000
H6 -0.4759 -1.6449 0.0000   -1.1565 -1.2629 0.0000
H7 -1.6261 -0.6401 0.8758   -1.7412 0.1481 0.8758
H8 -1.6261 -0.6401 -0.8758   -1.7412 0.1481 -0.8758
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3244 1.5055 1.0839 2.2120 2.1496 2.1453 2.1453
C2 1.3244 2.5107 2.0726 1.0719 2.6570 3.2163 3.2163
C3 1.5055 2.5107 2.2146 3.5532 1.0834 1.0870 1.0870
H4 1.0839 2.0726 2.2146 2.5986 3.0979 2.5711 2.5711
H5 2.2120 1.0719 3.5532 2.5986 3.7216 4.2025 4.2025
H6 2.1496 2.6570 1.0834 3.0979 3.7216 1.7606 1.7606
H7 2.1453 3.2163 1.0870 2.5711 4.2025 1.7606 1.7515
H8 2.1453 3.2163 1.0870 2.5711 4.2025 1.7606 1.7515
Maximum atom distance is 4.2025Å between atoms H5 and H7.
picture of 1-propenyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 124.933
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 134.499 C1 C3 H6 111.216
C1 C3 H7 110.653 C1 C3 H8 110.653
C2 C1 H4 118.429 C3 C1 H4 116.638
H6 C3 H7 108.421 H6 C3 H8 108.421
H7 C3 H8 107.352

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.