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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

QCISD/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6719 0.0000   0.5415 -0.3978 0.0000
C2 0.0000 -0.6719 0.0000   -0.5415 0.3978 0.0000
C3 -1.2578 1.5373 0.0000   0.4943 -1.9238 0.0000
C4 1.2578 -1.5373 0.0000   -0.4943 1.9238 0.0000
H5 0.9529 1.2106 0.0000   1.5398 0.0513 0.0000
H6 -0.9529 -1.2106 0.0000   -1.5398 -0.0513 0.0000
H7 -2.1583 0.9055 0.0000   -0.5480 -2.2755 0.0000
H8 2.1583 -0.9055 0.0000   0.5480 2.2755 0.0000
H9 -1.2882 2.1852 0.8897   0.9984 -2.3319 0.8897
H10 -1.2882 2.1852 -0.8897   0.9984 -2.3319 -0.8897
H11 1.2882 -2.1852 0.8897   -0.9984 2.3319 0.8897
H12 1.2882 -2.1852 -0.8897   -0.9984 2.3319 -0.8897
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3439 1.5267 2.5422 1.0946 2.1099 2.1709 2.6733 2.1774 2.1774 3.2580 3.2580
C2 1.3439 2.5422 1.5267 2.1099 1.0946 2.6733 2.1709 3.2580 3.2580 2.1774 2.1774
C3 1.5267 2.5422 3.9726 2.2348 2.7647 1.1000 4.1996 1.1011 1.1011 4.5968 4.5968
C4 2.5422 1.5267 3.9726 2.7647 2.2348 4.1996 1.1000 4.5968 4.5968 1.1011 1.1011
H5 1.0946 2.1099 2.2348 2.7647 3.0813 3.1261 2.4353 2.6008 2.6008 3.5264 3.5264
H6 2.1099 1.0946 2.7647 2.2348 3.0813 2.4353 3.1261 3.5264 3.5264 2.6008 2.6008
H7 2.1709 2.6733 1.1000 4.1996 3.1261 2.4353 4.6810 1.7850 1.7850 4.7140 4.7140
H8 2.6733 2.1709 4.1996 1.1000 2.4353 3.1261 4.6810 4.7140 4.7140 1.7850 1.7850
H9 2.1774 3.2580 1.1011 4.5968 2.6008 3.5264 1.7850 4.7140 1.7795 5.0733 5.3763
H10 2.1774 3.2580 1.1011 4.5968 2.6008 3.5264 1.7850 4.7140 1.7795 5.3763 5.0733
H11 3.2580 2.1774 4.5968 1.1011 3.5264 2.6008 4.7140 1.7850 5.0733 5.3763 1.7795
H12 3.2580 2.1774 4.5968 1.1011 3.5264 2.6008 4.7140 1.7850 5.3763 5.0733 1.7795
Maximum atom distance is 5.3763Å 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 124.529 C2 C1 C3 124.529
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 119.476 C1 C3 H7 110.415
C1 C3 H9 110.871 C1 C3 H10 110.871
C2 C1 H5 119.476 C2 C4 H8 110.415
C2 C4 H11 110.871 C2 C4 H12 110.871
C3 C1 H5 115.995 C4 C2 H6 115.995
H7 C3 H9 108.385 H7 C3 H10 108.385
H8 C4 H11 108.385 H8 C4 H12 108.385
H9 C3 H10 107.817 H11 C4 H12 107.817

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