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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

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2700 1.0612 0.6788   0.5405 -0.4916 1.0612
C2 -0.2700 1.0612 -0.6788   -0.7304 -0.0140 1.0612
C3 -0.2700 -0.4673 0.7668   0.6228 -0.5225 -0.4673
C4 -0.2700 -0.4673 -0.7668   -0.8128 0.0170 -0.4673
C5 0.9321 -1.0109 0.0000   0.3279 0.8725 -1.0109
H6 -0.1272 1.8405 1.4358   1.2992 -0.6241 1.8405
H7 -0.1272 1.8405 -1.4358   -1.3887 0.3860 1.8405
H8 -0.8854 -1.0975 1.4143   1.0125 -1.3263 -1.0975
H9 -0.8854 -1.0975 -1.4143   -1.6354 -0.3313 -1.0975
H10 1.8714 -0.4441 0.0000   0.6583 1.7518 -0.4441
H11 1.0414 -2.1045 0.0000   0.3663 0.9749 -2.1045
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
C1 1.3577 1.5310 2.1039 2.4899 1.0957 2.2581 2.3621 3.0692 2.7042 3.4932
C2 1.3577 2.1039 1.5310 2.4899 2.2581 1.0957 3.0692 2.3621 2.7042 3.4932
C3 1.5310 2.1039 1.5336 1.5260 2.4069 3.1933 1.0932 2.3523 2.2747 2.2335
C4 2.1039 1.5310 1.5336 1.5260 3.1933 2.4069 2.3523 1.0932 2.2747 2.2335
C5 2.4899 2.4899 1.5260 1.5260 3.3636 3.3636 2.3046 2.3046 1.0970 1.0991
H6 1.0957 2.2581 2.4069 3.1933 3.3636 2.8715 3.0343 4.1628 3.3579 4.3577
H7 2.2581 1.0957 3.1933 2.4069 3.3636 2.8715 4.1628 3.0343 3.3579 4.3577
H8 2.3621 3.0692 1.0932 2.3523 2.3046 3.0343 4.1628 2.8286 3.1666 2.5936
H9 3.0692 2.3621 2.3523 1.0932 2.3046 4.1628 3.0343 2.8286 3.1666 2.5936
H10 2.7042 2.7042 2.2747 2.2747 1.0970 3.3579 3.3579 3.1666 3.1666 1.8562
H11 3.4932 3.4932 2.2335 2.2335 1.0991 4.3577 4.3577 2.5936 2.5936 1.8562
Maximum atom distance is 4.3577Å 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 93.294 C1 C3 C4 86.706
C1 C3 C5 109.073 C2 C1 C3 93.294
C2 C4 C3 86.706 C2 C4 C5 109.073
C3 C4 C5 59.834 C3 C5 C4 60.332
C4 C3 C5 59.834
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 133.696 C1 C3 H8 127.558
C2 C1 H6 133.696 C2 C4 H9 127.558
C3 C1 H6 132.091 C3 C4 H9 126.319
C3 C5 H10 119.373 C3 C5 H11 115.647
C4 C2 H7 132.091 C4 C3 H8 126.319
C4 C5 H10 119.373 C4 C5 H11 115.647
C5 C3 H8 122.392 C5 C4 H9 122.392
H10 C5 H11 115.394

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