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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

B1B95/cc-pVDZ


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.3239 0.5834 0.0000   0.6181 0.2515 0.0000
C2 -0.3239 -0.5834 0.0000   -0.6181 -0.2515 0.0000
C3 -0.3239 1.9281 0.0000   1.8753 -0.5530 0.0000
C4 0.3239 -1.9281 0.0000   -1.8753 0.5530 0.0000
H5 1.4205 0.5700 0.0000   0.7364 1.3418 0.0000
H6 -1.4205 -0.5700 0.0000   -0.7364 -1.3418 0.0000
H7 -1.4196 1.8488 0.0000   1.6650 -1.6313 0.0000
H8 1.4196 -1.8488 0.0000   -1.6650 1.6313 0.0000
H9 -0.0250 2.5168 0.8819   2.4956 -0.3269 0.8819
H10 -0.0250 2.5168 -0.8819   2.4956 -0.3269 -0.8819
H11 0.0250 -2.5168 0.8819   -2.4956 0.3269 0.8819
H12 0.0250 -2.5168 -0.8819   -2.4956 0.3269 -0.8819
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10 H11 H12
C1 1.3346 1.4926 2.5116 1.0967 2.0912 2.1542 2.6676 2.1534 2.1534 3.2370 3.2370
C2 1.3346 2.5116 1.4926 2.0912 1.0967 2.6676 2.1542 3.2370 3.2370 2.1534 2.1534
C3 1.4926 2.5116 3.9103 2.2108 2.7282 1.0986 4.1599 1.1016 1.1016 4.5450 4.5450
C4 2.5116 1.4926 3.9103 2.7282 2.2108 4.1599 1.0986 4.5450 4.5450 1.1016 1.1016
H5 1.0967 2.0912 2.2108 2.7282 3.0612 3.1147 2.4187 2.5801 2.5801 3.5005 3.5005
H6 2.0912 1.0967 2.7282 2.2108 3.0612 2.4187 3.1147 3.5005 3.5005 2.5801 2.5801
H7 2.1542 2.6676 1.0986 4.1599 3.1147 2.4187 4.6618 1.7801 1.7801 4.6821 4.6821
H8 2.6676 2.1542 4.1599 1.0986 2.4187 3.1147 4.6618 4.6821 4.6821 1.7801 1.7801
H9 2.1534 3.2370 1.1016 4.5450 2.5801 3.5005 1.7801 4.6821 1.7638 5.0338 5.3339
H10 2.1534 3.2370 1.1016 4.5450 2.5801 3.5005 1.7801 4.6821 1.7638 5.3339 5.0338
H11 3.2370 2.1534 4.5450 1.1016 3.5005 2.5801 4.6821 1.7801 5.0338 5.3339 1.7638
H12 3.2370 2.1534 4.5450 1.1016 3.5005 2.5801 4.6821 1.7801 5.3339 5.0338 1.7638
Maximum atom distance is 5.3339Å 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 125.247 C2 C1 C3 125.247
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 118.330 C1 C3 H7 111.576
C1 C3 H9 111.325 C1 C3 H10 111.325
C2 C1 H5 118.330 C2 C4 H8 111.576
C2 C4 H11 111.325 C2 C4 H12 111.325
C3 C1 H5 116.423 C4 C2 H6 116.423
H7 C3 H9 108.012 H7 C3 H10 108.012
H8 C4 H11 108.012 H8 C4 H12 108.012
H9 C3 H10 106.365 H11 C4 H12 106.365

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