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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

B3PW91/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4425 0.0000   -0.2006 -0.3944 0.0000
C2 1.3122 0.3363 0.0000   -1.3221 0.2951 0.0000
C3 -0.9788 -0.6964 0.0000   1.1881 0.1771 0.0000
H4 -0.4367 1.4581 0.0000   -0.2717 -1.4976 0.0000
H5 2.1681 1.0116 0.0000   -2.3911 0.0812 0.0000
H6 -0.4636 -1.6671 0.0000   1.1689 1.2758 0.0000
H7 -1.6343 -0.6482 0.8858   1.7506 -0.1631 0.8858
H8 -1.6343 -0.6482 -0.8858   1.7506 -0.1631 -0.8858
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8
C1 1.3165 1.5017 1.1055 2.2415 2.1599 2.1552 2.1552
C2 1.3165 2.5130 2.0778 1.0902 2.6771 3.2305 3.2305
C3 1.5017 2.5130 2.2217 3.5805 1.0989 1.1030 1.1030
H4 1.1055 2.0778 2.2217 2.6428 3.1253 2.5798 2.5798
H5 2.2415 1.0902 3.5805 2.6428 3.7551 4.2424 4.2424
H6 2.1599 2.6771 1.0989 3.1253 3.7551 1.7870 1.7870
H7 2.1552 3.2305 1.1030 2.5798 4.2424 1.7870 1.7715
H8 2.1552 3.2305 1.1030 2.5798 4.2424 1.7870 1.7715
Maximum atom distance is 4.2424Å 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 126.050
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 137.101 C1 C3 H6 111.367
C1 C3 H7 110.744 C1 C3 H8 110.744
C2 C1 H4 117.892 C3 C1 H4 116.058
H6 C3 H7 108.498 H6 C3 H8 108.498
H7 C3 H8 106.842

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