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Geometry for C5H6 (Bicyclo[2.1.0]pent-2-ene) 1A' CS

1910171554
InChI=1S/C5H6/c1-2-5-3-4(1)5/h1-2,4-5H,3H2 INChIKey=CGKPQMCLTLUAOW-UHFFFAOYSA-N

HF/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2652 1.0543 0.6624   1.0803 0.6624 0.1219
C2 -0.2652 1.0543 -0.6624   1.0803 -0.6624 0.1219
C3 -0.2652 -0.4619 0.7542   -0.3394 0.7542 -0.4105
C4 -0.2652 -0.4619 -0.7542   -0.3394 -0.7542 -0.4105
C5 0.9208 -1.0092 0.0000   -1.2683 0.0000 0.5078
H6 -0.1434 1.8214 1.4055   1.7557 1.4055 0.5053
H7 -0.1434 1.8214 -1.4055   1.7557 -1.4055 0.5053
H8 -0.8742 -1.0712 1.3947   -0.6960 1.3947 -1.1947
H9 -0.8742 -1.0712 -1.3947   -0.6960 -1.3947 -1.1947
H10 1.8522 -0.4694 0.0000   -1.0899 0.0000 1.5694
H11 1.0225 -2.0838 0.0000   -2.3102 0.0000 0.2256
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.3248 1.5190 2.0750 2.4705 1.0749 2.2090 2.3292 3.0200 2.6914 3.4561
C2 1.3248 2.0750 1.5190 2.4705 2.2090 1.0749 3.0200 2.3292 2.6914 3.4561
C3 1.5190 2.0750 1.5084 1.5083 2.3775 3.1453 1.0735 2.3152 2.2477 2.2040
C4 2.0750 1.5190 1.5084 1.5083 3.1453 2.3775 2.3152 1.0735 2.2477 2.2040
C5 2.4705 2.4705 1.5083 1.5083 3.3347 3.3347 2.2741 2.2741 1.0765 1.0794
H6 1.0749 2.2090 2.3775 3.1453 3.3347 2.8111 2.9835 4.0918 3.3474 4.3111
H7 2.2090 1.0749 3.1453 2.3775 3.3347 2.8111 4.0918 2.9835 3.3474 4.3111
H8 2.3292 3.0200 1.0735 2.3152 2.2741 2.9835 4.0918 2.7894 3.1210 2.5628
H9 3.0200 2.3292 2.3152 1.0735 2.2741 4.0918 2.9835 2.7894 3.1210 2.5628
H10 2.6914 2.6914 2.2477 2.2477 1.0765 3.3474 3.3474 3.1210 3.1210 1.8152
H11 3.4561 3.4561 2.2040 2.2040 1.0794 4.3111 4.3111 2.5628 2.5628 1.8152
Maximum atom distance is 4.3111Å between atoms H6 and H11.
picture of Bicyclo[2.1.0]pent-2-ene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 93.465 C1 C3 C4 86.535
C1 C3 C5 109.387 C2 C1 C3 93.465
C2 C4 C3 86.535 C2 C4 C5 109.387
C3 C4 C5 59.997 C3 C5 C4 60.005
C4 C3 C5 59.997
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 133.736 C1 C3 H8 127.055
C2 C1 H6 133.736 C2 C4 H9 127.055
C3 C1 H6 132.105 C3 C4 H9 126.631
C3 C5 H10 119.892 C3 C5 H11 115.803
C4 C2 H7 132.105 C4 C3 H8 126.631
C4 C5 H10 119.892 C4 C5 H11 115.803
C5 C3 H8 122.584 C5 C4 H9 122.584
H10 C5 H11 114.694

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