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Geometry for CH3CHCHCH3 (2-Butene, (E)-) 1Ag C2h

1910171554
InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+ INChIKey=IAQRGUVFOMOMEM-ONEGZZNKSA-N

B3PW91/6-31G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6700 0.0000   0.5390 -0.3979 0.0000
C2 0.0000 -0.6700 0.0000   -0.5390 0.3979 0.0000
C3 -1.2267 1.5342 0.0000   0.5056 -1.8982 0.0000
C4 1.2267 -1.5342 0.0000   -0.5056 1.8982 0.0000
H5 0.9573 1.1955 0.0000   1.5304 0.0600 0.0000
H6 -0.9573 -1.1955 0.0000   -1.5304 -0.0600 0.0000
H7 -2.1416 0.9318 0.0000   -0.5225 -2.2763 0.0000
H8 2.1416 -0.9318 0.0000   0.5225 2.2763 0.0000
H9 -1.2547 2.1897 0.8812   1.0163 -2.3100 0.8812
H10 -1.2547 2.1897 -0.8812   1.0163 -2.3100 -0.8812
H11 1.2547 -2.1897 0.8812   -1.0163 2.3100 0.8812
H12 1.2547 -2.1897 -0.8812   -1.0163 2.3100 -0.8812
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3399 1.5006 2.5226 1.0921 2.0968 2.1576 2.6743 2.1588 2.1588 3.2447 3.2447
C2 1.3399 2.5226 1.5006 2.0968 1.0921 2.6743 2.1576 3.2447 3.2447 2.1588 2.1588
C3 1.5006 2.5226 3.9287 2.2101 2.7430 1.0954 4.1746 1.0986 1.0986 4.5609 4.5609
C4 2.5226 1.5006 3.9287 2.7430 2.2101 4.1746 1.0954 4.5609 4.5609 1.0986 1.0986
H5 1.0921 2.0968 2.2101 2.7430 3.0631 3.1101 2.4348 2.5802 2.5802 3.5106 3.5106
H6 2.0968 1.0921 2.7430 2.2101 3.0631 2.4348 3.1101 3.5106 3.5106 2.5802 2.5802
H7 2.1576 2.6743 1.0954 4.1746 3.1101 2.4348 4.6711 1.7735 1.7735 4.6963 4.6963
H8 2.6743 2.1576 4.1746 1.0954 2.4348 3.1101 4.6711 4.6963 4.6963 1.7735 1.7735
H9 2.1588 3.2447 1.0986 4.5609 2.5802 3.5106 1.7735 4.6963 1.7623 5.0474 5.3462
H10 2.1588 3.2447 1.0986 4.5609 2.5802 3.5106 1.7735 4.6963 1.7623 5.3462 5.0474
H11 3.2447 2.1588 4.5609 1.0986 3.5106 2.5802 4.6963 1.7735 5.0474 5.3462 1.7623
H12 3.2447 2.1588 4.5609 1.0986 3.5106 2.5802 4.6963 1.7735 5.3462 5.0474 1.7623
Maximum atom distance is 5.3462Å between atoms H9 and H12.
picture of 2-Butene, (E)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 125.166 C2 C1 C3 125.166
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.768 C1 C3 H7 111.469
C1 C3 H9 111.373 C1 C3 H10 111.373
C2 C1 H5 118.768 C2 C4 H8 111.469
C2 C4 H11 111.373 C2 C4 H12 111.373
C3 C1 H5 116.066 C4 C2 H6 116.066
H7 C3 H9 107.872 H7 C3 H10 107.872
H8 C4 H11 107.872 H8 C4 H12 107.872
H9 C3 H10 106.661 H11 C4 H12 106.661

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