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Geometry for C5H8 (Bicyclo[2.1.0]pentane) 1A' CS

1910171554
InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2 INChIKey=MHLPKAGDPWUOOT-UHFFFAOYSA-N

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.2450 -0.5366 0.7638   0.6181 -0.5113 -0.5366
C2 -0.2450 -0.5366 -0.7638   -0.8002 0.0564 -0.5366
C3 -0.2450 0.9923 0.7797   0.6328 -0.5172 0.9923
C4 -0.2450 0.9923 -0.7797   -0.8149 0.0623 0.9923
C5 0.9410 -1.0457 0.0000   0.3497 0.8736 -1.0457
H6 -0.7992 -1.1750 1.4467   1.0461 -1.2796 -1.1750
H7 -0.7992 -1.1750 -1.4467   -1.6401 -0.2042 -1.1750
H8 0.6094 1.4669 1.2785   1.4134 0.0906 1.4669
H9 0.6094 1.4669 -1.2785   -0.9604 1.0409 1.4669
H10 -1.1658 1.4180 1.1894   0.6710 -1.5243 1.4180
H11 -1.1658 1.4180 -1.1894   -1.5375 -0.6402 1.4180
H12 1.8788 -0.4878 0.0000   0.6982 1.7442 -0.4878
H13 1.0663 -2.1260 0.0000   0.3963 0.9899 -2.1260
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11 H12 H13
C1 1.5277 1.5290 2.1725 1.4997 1.0867 2.3667 2.2380 2.9858 2.2022 2.9127 2.2575 2.1975
C2 1.5277 2.1725 1.5290 1.4997 2.3667 1.0867 2.9858 2.2380 2.9127 2.2022 2.2575 2.1975
C3 1.5290 2.1725 1.5594 2.4835 2.3343 3.1561 1.0973 2.2785 1.0941 2.2151 2.7035 3.4715
C4 2.1725 1.5290 1.5594 2.4835 3.1561 2.3343 2.2785 1.0973 2.2151 1.0941 2.7035 3.4715
C5 1.4997 1.4997 2.4835 2.4835 2.2667 2.2667 2.8386 2.8386 3.4530 3.4530 1.0912 1.0876
H6 1.0867 2.3667 2.3343 3.1561 2.2667 2.8934 2.9986 4.0485 2.6314 3.7158 3.1203 2.5451
H7 2.3667 1.0867 3.1561 2.3343 2.2667 2.8934 4.0485 2.9986 3.7158 2.6314 3.1203 2.5451
H8 2.2380 2.9858 1.0973 2.2785 2.8386 2.9986 4.0485 2.5570 1.7781 3.0405 2.6583 3.8408
H9 2.9858 2.2380 2.2785 1.0973 2.8386 4.0485 2.9986 2.5570 3.0405 1.7781 2.6583 3.8408
H10 2.2022 2.9127 1.0941 2.2151 3.4530 2.6314 3.7158 1.7781 3.0405 2.3788 3.7837 4.3540
H11 2.9127 2.2022 2.2151 1.0941 3.4530 3.7158 2.6314 3.0405 1.7781 2.3788 3.7837 4.3540
H12 2.2575 2.2575 2.7035 2.7035 1.0912 3.1203 3.1203 2.6583 2.6583 3.7837 3.7837 1.8286
H13 2.1975 2.1975 3.4715 3.4715 1.0876 2.5451 2.5451 3.8408 3.8408 4.3540 4.3540 1.8286
Maximum atom distance is 4.3540Å between atoms H10 and H13.
picture of Bicyclo[2.1.0]pentane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C4 90.595 C1 C2 C5 59.382
C1 C3 C4 89.405 C1 C5 C2 61.237
C2 C1 C3 90.595 C2 C1 C5 59.382
C2 C4 C3 89.405 C3 C1 C5 110.166
C4 C2 C5 110.166
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 128.931 C1 C3 H8 115.925
C1 C3 H10 113.142 C1 C5 H12 120.403
C1 C5 H13 115.362 C2 C1 H6 128.931
C2 C4 H9 115.925 C2 C4 H11 113.142
C2 C5 H12 120.403 C2 C5 H13 115.362
C3 C1 H6 125.513 C3 C4 H9 117.038
C3 C4 H11 111.992 C4 C2 H7 125.513
C4 C3 H8 117.038 C4 C3 H10 111.992
C5 C1 H6 121.594 C5 C2 H7 121.594
H8 C3 H10 108.469 H9 C4 H11 108.469
H12 C5 H13 114.130

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