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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

B3PW91/6-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6713 0.6656   0.6656 0.0000 0.6713
C2 0.0000 -0.6713 0.6656   0.6656 0.0000 -0.6713
C3 0.0000 1.5891 -0.5221   -0.5221 0.0000 1.5891
C4 0.0000 -1.5891 -0.5221   -0.5221 0.0000 -1.5891
H5 0.0000 1.1745 1.6333   1.6333 0.0000 1.1745
H6 0.0000 -1.1745 1.6333   1.6333 0.0000 -1.1745
H7 0.0000 1.0511 -1.4741   -1.4741 0.0000 1.0511
H8 0.0000 -1.0511 -1.4741   -1.4741 0.0000 -1.0511
H9 -0.8809 2.2454 -0.5101   -0.5101 -0.8809 2.2454
H10 0.8809 2.2454 -0.5101   -0.5101 0.8809 2.2454
H11 0.8809 -2.2454 -0.5101   -0.5101 0.8809 -2.2454
H12 -0.8809 -2.2454 -0.5101   -0.5101 -0.8809 -2.2454
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3427 1.5010 2.5535 1.0907 2.0842 2.1732 2.7469 2.1532 2.1532 3.2659 3.2659
C2 1.3427 2.5535 1.5010 2.0842 1.0907 2.7469 2.1732 3.2659 3.2659 2.1532 2.1532
C3 1.5010 2.5535 3.1782 2.1950 3.5048 1.0935 2.8066 1.0986 1.0986 3.9344 3.9344
C4 2.5535 1.5010 3.1782 3.5048 2.1950 2.8066 1.0935 3.9344 3.9344 1.0986 1.0986
H5 1.0907 2.0842 2.1950 3.5048 2.3491 3.1099 3.8223 2.5528 2.5528 4.1312 4.1312
H6 2.0842 1.0907 3.5048 2.1950 2.3491 3.8223 3.1099 4.1312 4.1312 2.5528 2.5528
H7 2.1732 2.7469 1.0935 2.8066 3.1099 3.8223 2.1022 1.7697 1.7697 3.5458 3.5458
H8 2.7469 2.1732 2.8066 1.0935 3.8223 3.1099 2.1022 3.5458 3.5458 1.7697 1.7697
H9 2.1532 3.2659 1.0986 3.9344 2.5528 4.1312 1.7697 3.5458 1.7617 4.8241 4.4909
H10 2.1532 3.2659 1.0986 3.9344 2.5528 4.1312 1.7697 3.5458 1.7617 4.4909 4.8241
H11 3.2659 2.1532 3.9344 1.0986 4.1312 2.5528 3.5458 1.7697 4.8241 4.4909 1.7617
H12 3.2659 2.1532 3.9344 1.0986 4.1312 2.5528 3.5458 1.7697 4.4909 4.8241 1.7617
Maximum atom distance is 4.8241Å 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 127.693 C2 C1 C3 127.693
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 117.475 C1 C3 H7 112.835
C1 C3 H9 110.893 C1 C3 H10 110.893
C2 C1 H5 117.475 C2 C4 H8 112.835
C2 C4 H11 110.893 C2 C4 H12 110.893
C3 C1 H5 114.833 C4 C2 H6 114.833
H7 C3 H9 107.668 H7 C3 H10 107.668
H8 C4 H11 107.668 H8 C4 H12 107.668
H9 C3 H10 106.609 H11 C4 H12 106.609

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