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Geometry for CH2C(CH3)CH3 (1-Propene, 2-methyl-) 1A1 C2V

1910171554
InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3 INChIKey=VQTUBCCKSQIDNK-UHFFFAOYSA-N

PBEPBEultrafine/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.1208   0.1208 0.0000 0.0000
C2 0.0000 0.0000 1.4666   1.4666 0.0000 0.0000
H3 0.0000 0.9325 2.0416   2.0416 0.0000 0.9325
H4 0.0000 -0.9325 2.0416   2.0416 0.0000 -0.9325
C5 0.0000 1.2789 -0.6807   -0.6807 0.0000 1.2789
C6 0.0000 -1.2789 -0.6807   -0.6807 0.0000 -1.2789
H7 0.0000 2.1710 -0.0336   -0.0336 0.0000 2.1710
H8 0.8853 1.3339 -1.3429   -1.3429 0.8853 1.3339
H9 -0.8853 1.3339 -1.3429   -1.3429 -0.8853 1.3339
H10 0.0000 -2.1710 -0.0336   -0.0336 0.0000 -2.1710
H11 -0.8853 -1.3339 -1.3429   -1.3429 -0.8853 -1.3339
H12 0.8853 -1.3339 -1.3429   -1.3429 0.8853 -1.3339
Atom - Atom Distances (Å)
  C1 C2 H3 H4 C5 C6 H7 H8 H9 H10 H11 H12
C1 1.3459 2.1352 2.1352 1.5093 1.5093 2.1764 2.1692 2.1692 2.1764 2.1692 2.1692
C2 1.3459 1.0955 1.0955 2.4993 2.4993 2.6389 3.2337 3.2337 2.6389 3.2337 3.2337
H3 2.1352 1.0955 1.8649 2.7443 3.5073 2.4167 3.5214 3.5214 3.7333 4.1684 4.1684
H4 2.1352 1.0955 1.8649 3.5073 2.7443 3.7333 4.1684 4.1684 2.4167 3.5214 3.5214
C5 1.5093 2.4993 2.7443 3.5073 2.5578 1.1021 1.1069 1.1069 3.5100 2.8371 2.8371
C6 1.5093 2.4993 3.5073 2.7443 2.5578 3.5100 2.8371 2.8371 1.1021 1.1069 1.1069
H7 2.1764 2.6389 2.4167 3.7333 1.1021 3.5100 1.7885 1.7885 4.3419 3.8448 3.8448
H8 2.1692 3.2337 3.5214 4.1684 1.1069 2.8371 1.7885 1.7705 3.8448 3.2019 2.6678
H9 2.1692 3.2337 3.5214 4.1684 1.1069 2.8371 1.7885 1.7705 3.8448 2.6678 3.2019
H10 2.1764 2.6389 3.7333 2.4167 3.5100 1.1021 4.3419 3.8448 3.8448 1.7885 1.7885
H11 2.1692 3.2337 4.1684 3.5214 2.8371 1.1069 3.8448 3.2019 2.6678 1.7885 1.7705
H12 2.1692 3.2337 4.1684 3.5214 2.8371 1.1069 3.8448 2.6678 3.2019 1.7885 1.7705
Maximum atom distance is 4.3419Å between atoms H7 and H10.
picture of 1-Propene, 2-methyl-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C5 122.075 C2 C1 C6 122.075
C5 C1 C6 115.850
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H3 121.659 C1 C2 H4 121.659
C1 C5 H7 111.967 C1 C5 H8 111.088
C1 C5 H9 111.088 C1 C6 H10 111.967
C1 C6 H11 111.088 C1 C6 H12 111.088
H3 C2 H4 116.683 H7 C5 H8 108.124
H7 C5 H9 108.124 H8 C5 H9 106.214
H10 C6 H11 108.124 H10 C6 H12 108.124
H11 C6 H12 106.214

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