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Geometry for C8H14 (Bicyclo[2.2.2]octane) 1A1' D3H

1910171554
InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2/t7-,8+ INChIKey=GPRLTFBKWDERLU-OCAPTIKFSA-N

CBS-Q


Point group is D3
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 1.2906   -0.0000 1.2906 0.0000
C2 0.0000 0.0000 -1.2906   0.0000 -1.2906 -0.0000
C3 -0.1065 1.4343 0.7667   1.4343 0.7667 0.1065
C4 1.2954 -0.6249 0.7667   -0.6249 0.7667 -1.2954
C5 -1.1889 -0.8094 0.7667   -0.8094 0.7667 1.1889
C6 0.1065 1.4343 -0.7667   1.4343 -0.7667 -0.1065
C7 -1.2954 -0.6249 -0.7667   -0.6249 -0.7667 1.2954
C8 1.1889 -0.8094 -0.7667   -0.8094 -0.7667 -1.1889
H9 0.0000 0.0000 2.3966   -0.0000 2.3966 0.0000
H10 0.0000 0.0000 -2.3966   0.0000 -2.3966 -0.0000
H11 0.7324 2.0337 1.1700   2.0337 1.1700 -0.7324
H12 -1.0420 1.9335 1.2042   1.9335 1.2042 1.0420
H13 1.3950 -1.6512 1.1700   -1.6512 1.1700 -1.3950
H14 2.1954 -0.0644 1.2042   -0.0644 1.2042 -2.1954
H15 -2.1275 -0.3826 1.1700   -0.3826 1.1700 2.1275
H16 -1.1535 -1.8691 1.2042   -1.8691 1.2042 1.1535
H17 -0.7324 2.0337 -1.1700   2.0337 -1.1700 0.7325
H18 1.0420 1.9335 -1.2042   1.9335 -1.2042 -1.0420
H19 -1.3950 -1.6512 -1.1700   -1.6512 -1.1700 1.3950
H20 -2.1954 -0.0644 -1.2042   -0.0644 -1.2042 2.1954
H21 2.1275 -0.3826 -1.1700   -0.3825 -1.1700 -2.1275
H22 1.1535 -1.8691 -1.2042   -1.8691 -1.2042 -1.1535
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 C7 C8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22
C1 2.5811 1.5307 1.5307 1.5307 2.5102 2.5102 2.5102 1.1061 3.6872 2.1650 2.1981 2.1650 2.1981 2.1650 2.1981 3.2752 3.3238 3.2752 3.3238 3.2752 3.3238
C2 2.5811 2.5102 2.5102 2.5102 1.5307 1.5307 1.5307 3.6872 1.1061 3.2752 3.3238 3.2752 3.3238 3.2752 3.3238 2.1650 2.1981 2.1650 2.1981 2.1650 2.1981
C3 1.5307 2.5102 2.4911 2.4911 1.5482 2.8294 3.0106 2.1737 3.4750 1.1072 1.1470 3.4551 2.7814 2.7474 3.4928 2.1219 2.3351 3.8641 3.2395 3.4703 4.0478
C4 1.5307 2.5102 2.4911 2.4911 2.8294 3.0106 1.5482 2.1737 3.4750 2.7474 3.4928 1.1072 1.1470 3.4551 2.7814 3.8641 3.2395 3.4703 4.0478 2.1219 2.3351
C5 1.5307 2.5102 2.4911 2.4911 3.0106 1.5482 2.8294 2.1737 3.4750 3.4551 2.7814 2.7474 3.4928 1.1072 1.1470 3.4703 4.0478 2.1219 2.3351 3.8641 3.2395
C6 2.5102 1.5307 1.5482 2.8294 3.0106 2.4911 2.4911 3.4750 2.1737 2.1219 2.3351 3.8641 3.2395 3.4703 4.0478 1.1072 1.1470 3.4551 2.7814 2.7474 3.4928
C7 2.5102 1.5307 2.8294 3.0106 1.5482 2.4911 2.4911 3.4750 2.1737 3.8641 3.2395 3.4703 4.0478 2.1219 2.3351 2.7474 3.4928 1.1072 1.1470 3.4551 2.7814
C8 2.5102 1.5307 3.0106 1.5482 2.8294 2.4911 2.4911 3.4750 2.1737 3.4703 4.0478 2.1219 2.3351 3.8641 3.2395 3.4551 2.7814 2.7474 3.4928 1.1072 1.1470
H9 1.1061 3.6872 2.1737 2.1737 2.1737 3.4750 3.4750 3.4750 4.7932 2.4854 2.4992 2.4854 2.4992 2.4854 2.4992 4.1706 4.2178 4.1706 4.2178 4.1706 4.2178
H10 3.6872 1.1061 3.4750 3.4750 3.4750 2.1737 2.1737 2.1737 4.7932 4.1706 4.2178 4.1706 4.2178 4.1706 4.2178 2.4854 2.4992 2.4854 2.4992 2.4854 2.4992
H11 2.1650 3.2752 1.1072 2.7474 3.4551 2.1219 3.8641 3.4703 2.4854 4.1706 1.7776 3.7440 2.5580 3.7440 4.3347 2.7608 2.3964 4.8560 4.3141 3.6415 4.5876
H12 2.1981 3.3238 1.1470 3.4928 2.7814 2.3351 3.2395 4.0478 2.4992 4.2178 1.7776 4.3347 3.8042 2.5580 3.8042 2.3964 3.1848 4.3141 3.3350 4.5876 5.0080
H13 2.1650 3.2752 3.4551 1.1072 2.7474 3.8641 3.4703 2.1219 2.4854 4.1706 3.7440 4.3347 1.7776 3.7440 2.5580 4.8560 4.3141 3.6415 4.5876 2.7608 2.3964
H14 2.1981 3.3238 2.7814 1.1470 3.4928 3.2395 4.0478 2.3351 2.4992 4.2178 2.5580 3.8042 1.7776 4.3347 3.8042 4.3141 3.3350 4.5876 5.0080 2.3964 3.1848
H15 2.1650 3.2752 2.7474 3.4551 1.1072 3.4703 2.1219 3.8641 2.4854 4.1706 3.7440 2.5580 3.7440 4.3347 1.7776 3.6415 4.5876 2.7608 2.3964 4.8560 4.3141
H16 2.1981 3.3238 3.4928 2.7814 1.1470 4.0478 2.3351 3.2395 2.4992 4.2178 4.3347 3.8042 2.5580 3.8042 1.7776 4.5876 5.0080 2.3964 3.1848 4.3141 3.3350
H17 3.2752 2.1650 2.1219 3.8641 3.4703 1.1072 2.7474 3.4551 4.1706 2.4854 2.7608 2.3964 4.8560 4.3141 3.6415 4.5876 1.7776 3.7440 2.5580 3.7440 4.3347
H18 3.3238 2.1981 2.3351 3.2395 4.0478 1.1470 3.4928 2.7814 4.2178 2.4992 2.3964 3.1848 4.3141 3.3350 4.5876 5.0080 1.7776 4.3347 3.8042 2.5580 3.8042
H19 3.2752 2.1650 3.8641 3.4703 2.1219 3.4551 1.1072 2.7474 4.1706 2.4854 4.8560 4.3141 3.6415 4.5876 2.7608 2.3964 3.7440 4.3347 1.7776 3.7440 2.5580
H20 3.3238 2.1981 3.2395 4.0478 2.3351 2.7814 1.1470 3.4928 4.2178 2.4992 4.3141 3.3350 4.5876 5.0080 2.3964 3.1848 2.5580 3.8042 1.7776 4.3347 3.8042
H21 3.2752 2.1650 3.4703 2.1219 3.8641 2.7474 3.4551 1.1072 4.1706 2.4854 3.6415 4.5876 2.7608 2.3964 4.8560 4.3141 3.7440 2.5580 3.7440 4.3347 1.7776
H22 3.3238 2.1981 4.0478 2.3351 3.2395 3.4928 2.7814 1.1470 4.2178 2.4992 4.5876 5.0080 2.3964 3.1848 4.3141 3.3350 4.3347 3.8042 2.5580 3.8042 1.7776
Maximum atom distance is 5.0080Å between atoms H14 and H20.
picture of Bicyclo[2.2.2]octane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C6 109.232 C1 C4 C8 109.232
C1 C5 C7 109.232 C2 C6 C3 109.232
C2 C7 C5 109.232 C2 C8 C4 109.232
C3 C1 C4 108.925 C3 C1 C5 108.925
C4 C1 C5 108.925 C6 C2 C7 108.925
C6 C2 C8 108.925 C7 C2 C8 108.925
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H11 109.267 C1 C3 H12 109.514
C1 C4 H13 109.267 C1 C4 H14 109.514
C1 C5 H15 109.267 C1 C5 H17 69.856
C2 C6 H17 109.267 C2 C6 H18 109.514
C2 C7 H19 109.267 C2 C7 H20 109.514
C2 C8 H21 109.267 C2 C8 H22 109.514
C3 C1 H9 110.012 C3 C6 H17 104.866
C3 C6 H18 119.335 C4 C1 H9 110.012
C4 C8 H21 104.866 C4 C8 H22 119.335
C5 C1 H9 110.012 C5 C7 H19 104.866
C5 C7 H20 119.335 C6 C2 H10 110.012
C6 C3 H11 104.866 C6 C3 H12 119.335
C7 C2 H10 110.012 C7 C5 H15 104.866
C7 C5 H16 119.335 C8 C2 H10 110.012
C8 C4 H13 104.866 C8 C4 H14 119.335
H11 C3 H12 104.090 H13 C4 H14 104.090
H15 C5 H16 104.090 H17 C6 H18 104.090
H19 C7 H20 104.090 H21 C8 H22 104.090

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