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Geometry for CH3CHCHCH3 (2-Butene, (Z)-) 1A1 C2V

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

mPW1PW91/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6693 0.6626   0.6626 0.0000 0.6693
C2 0.0000 -0.6693 0.6626   0.6626 0.0000 -0.6693
C3 0.0000 1.5841 -0.5213   -0.5213 0.0000 1.5841
C4 0.0000 -1.5841 -0.5213   -0.5213 0.0000 -1.5841
H5 0.0000 1.1672 1.6359   1.6359 0.0000 1.1672
H6 0.0000 -1.1672 1.6359   1.6359 0.0000 -1.1672
H7 0.0000 1.0461 -1.4751   -1.4751 0.0000 1.0461
H8 0.0000 -1.0461 -1.4751   -1.4751 0.0000 -1.0461
H9 -0.8815 2.2415 -0.5043   -0.5043 -0.8815 2.2415
H10 0.8815 2.2415 -0.5043   -0.5043 0.8815 2.2415
H11 0.8815 -2.2415 -0.5043   -0.5043 0.8815 -2.2415
H12 -0.8815 -2.2415 -0.5043   -0.5043 -0.8815 -2.2415
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3386 1.4961 2.5455 1.0933 2.0785 2.1706 2.7408 2.1472 2.1472 3.2575 3.2575
C2 1.3386 2.5455 1.4961 2.0785 1.0933 2.7408 2.1706 3.2575 3.2575 2.1472 2.1472
C3 1.4961 2.5455 3.1682 2.1971 3.4962 1.0951 2.7978 1.0998 1.0998 3.9259 3.9259
C4 2.5455 1.4961 3.1682 3.4962 2.1971 2.7978 1.0951 3.9259 3.9259 1.0998 1.0998
H5 1.0933 2.0785 2.1971 3.4962 2.3344 3.1134 3.8180 2.5518 2.5518 4.1203 4.1203
H6 2.0785 1.0933 3.4962 2.1971 2.3344 3.8180 3.1134 4.1203 4.1203 2.5518 2.5518
H7 2.1706 2.7408 1.0951 2.7978 3.1134 3.8180 2.0921 1.7744 1.7744 3.5394 3.5394
H8 2.7408 2.1706 2.7978 1.0951 3.8180 3.1134 2.0921 3.5394 3.5394 1.7744 1.7744
H9 2.1472 3.2575 1.0998 3.9259 2.5518 4.1203 1.7744 3.5394 1.7630 4.8172 4.4830
H10 2.1472 3.2575 1.0998 3.9259 2.5518 4.1203 1.7744 3.5394 1.7630 4.4830 4.8172
H11 3.2575 2.1472 3.9259 1.0998 4.1203 2.5518 3.5394 1.7744 4.8172 4.4830 1.7630
H12 3.2575 2.1472 3.9259 1.0998 4.1203 2.5518 3.5394 1.7744 4.4830 4.8172 1.7630
Maximum atom distance is 4.8172Å between atoms H9 and H11.
picture of 2-Butene, (Z)-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 127.695 C2 C1 C3 127.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 117.091 C1 C3 H7 112.877
C1 C3 H9 110.688 C1 C3 H10 110.688
C2 C1 H5 117.091 C2 C4 H8 112.877
C2 C4 H11 110.688 C2 C4 H12 110.688
C3 C1 H5 115.214 C4 C2 H6 115.214
H7 C3 H9 107.888 H7 C3 H10 107.888
H8 C4 H11 107.888 H8 C4 H12 107.888
H9 C3 H10 106.551 H11 C4 H12 106.551

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