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Geometry for C6H12 (Cyclohexane) 1A twist boat

1910171554
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 INChIKey=XDTMQSROBMDMFD-UHFFFAOYSA-N

CBS-Q


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3928 0.0184 0.3809   0.6959 1.2066 0.3809
C2 0.7444 1.3300 -0.0002   0.7976 -1.2988 -0.0002
C3 0.7444 -1.1776 -0.3807   -1.3911 -0.0749 -0.3807
C4 1.3928 -0.0184 0.3809   -0.6959 -1.2066 0.3809
C5 -0.7444 -1.3300 -0.0002   -0.7976 1.2988 -0.0002
C6 -0.7444 1.1776 -0.3807   1.3911 0.0749 -0.3807
H7 -1.2810 0.1939 1.4512   0.7945 1.0234 1.4512
H8 0.8429 2.0243 0.8331   1.3554 -1.7237 0.8331
H9 1.2757 -2.1080 -0.1887   -2.4625 -0.0846 -0.1887
H10 1.2810 -0.1939 1.4512   -0.7945 -1.0234 1.4512
H11 -0.8429 -2.0243 0.8331   -1.3554 1.7237 0.8331
H12 -1.2757 2.1080 -0.1887   2.4625 0.0846 -0.1887
H13 -2.4638 -0.0152 0.1894   1.1893 2.1578 0.1894
H14 1.2843 1.7763 -0.8341   0.9236 -1.9879 -0.8341
H15 0.8359 -0.9908 -1.4509   -1.2727 -0.2461 -1.4509
H16 2.4638 0.0152 0.1894   -1.1893 -2.1578 0.1894
H17 -1.2843 -1.7763 -0.8341   -0.9236 1.9879 -0.8341
H18 -0.8359 0.9908 -1.4509   1.2727 0.2461 -1.4509
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18
C1 2.5363 2.5647 2.7858 1.5441 1.5310 1.0903 3.0375 3.4594 2.8879 2.1633 2.1689 1.0885 3.4254 3.0564 3.8614 2.1701 2.1474
C2 2.5363 2.5363 1.5441 3.0483 1.5441 2.7385 1.0891 3.4839 2.1719 3.8033 2.1729 3.4840 1.0891 2.7384 2.1729 3.8027 2.1719
C3 2.5647 2.5363 1.5310 1.5441 2.7862 3.0560 3.4256 1.0885 2.1474 2.1702 3.8616 3.4595 3.0369 1.0903 2.1689 2.1632 2.8887
C4 2.7858 1.5441 1.5310 2.5363 2.5647 2.8879 2.1633 2.1689 1.0903 3.0375 3.4594 3.8614 2.1701 2.1474 1.0885 3.4254 3.0564
C5 1.5441 3.0483 1.5441 2.5363 2.5363 2.1719 3.8033 2.1729 2.7385 1.0891 3.4839 2.1729 3.8027 2.1719 3.4840 1.0891 2.7384
C6 1.5310 1.5441 2.7862 2.5647 2.5363 2.1474 2.1702 3.8616 3.0560 3.4256 1.0885 2.1689 2.1632 2.8887 3.4595 3.0369 1.0903
H7 1.0903 2.7385 3.0560 2.8879 2.1719 2.1474 2.8712 3.8112 2.5913 2.3440 2.5205 1.7421 3.7826 3.7825 3.9558 3.0174 3.0423
H8 3.0375 1.0891 3.4256 2.1633 3.8033 2.1702 2.8712 4.2787 2.3440 4.3856 2.3537 3.9381 1.7424 3.7825 2.6605 4.6637 3.0172
H9 3.4594 3.4839 1.0885 2.1689 2.1729 3.8616 3.8112 4.2787 2.5205 2.3537 4.9279 4.3020 3.9376 1.7421 2.4622 2.6609 3.9566
H10 2.8879 2.1719 2.1474 1.0903 2.7385 3.0560 2.5913 2.3440 2.5205 2.8712 3.8112 3.9558 3.0174 3.0423 1.7421 3.7826 3.7825
H11 2.1633 3.8033 2.1702 3.0375 1.0891 3.4256 2.3440 4.3856 2.3537 2.8712 4.2787 2.6605 4.6637 3.0172 3.9381 1.7424 3.7825
H12 2.1689 2.1729 3.8616 3.4594 3.4839 1.0885 2.5205 2.3537 4.9279 3.8112 4.2787 2.4622 2.6609 3.9566 4.3020 3.9376 1.7421
H13 1.0885 3.4840 3.4595 3.8614 2.1729 2.1689 1.7421 3.9381 4.3020 3.9558 2.6605 2.4622 4.2785 3.8119 4.9277 2.3538 2.5204
H14 3.4254 1.0891 3.0369 2.1701 3.8027 2.1632 3.7826 1.7424 3.9376 3.0174 4.6637 2.6609 4.2785 2.8702 2.3538 4.3840 2.3437
H15 3.0564 2.7384 1.0903 2.1474 2.1719 2.8887 3.7825 3.7825 1.7421 3.0423 3.0172 3.9566 3.8119 2.8702 2.5204 2.3437 2.5926
H16 3.8614 2.1729 2.1689 1.0885 3.4840 3.4595 3.9558 2.6605 2.4622 1.7421 3.9381 4.3020 4.9277 2.3538 2.5204 4.2785 3.8119
H17 2.1701 3.8027 2.1632 3.4254 1.0891 3.0369 3.0174 4.6637 2.6609 3.7826 1.7424 3.9376 2.3538 4.3840 2.3437 4.2785 2.8702
H18 2.1474 2.1719 2.8887 3.0564 2.7384 1.0903 3.0423 3.0172 3.9566 3.7825 3.7825 1.7421 2.5204 2.3437 2.5926 3.8119 2.8702
Maximum atom distance is 4.9279Å between atoms H9 and H12.
picture of Cyclohexane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C2 56.151 C1 C6 C3 65.566
C2 C4 C3 111.131 C4 C2 C5 56.151
C4 C3 C6 65.566 C5 C1 C6 111.131
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H11 109.259 C1 C5 H17 109.797
C1 C6 H12 110.646 C1 C6 H18 108.846
C2 C4 H10 109.865 C2 C4 H16 110.047
C2 C5 H11 126.904 C2 C5 H17 126.850
C3 C4 H10 108.848 C3 C4 H16 110.645
C3 C6 H12 169.526 C3 C6 H18 84.264
C4 C2 H8 109.259 C4 C2 H14 109.797
C4 C3 H9 110.646 C4 C3 H15 108.846
C5 C1 H7 109.865 C5 C1 H13 110.047
C5 C2 H8 126.904 C5 C2 H14 126.850
C6 C1 H7 108.848 C6 C1 H13 110.645
C6 C3 H9 169.526 C6 C3 H15 84.264
H7 C1 H13 106.175 H8 C2 H14 106.245
H9 C3 H15 106.175 H10 C4 H16 106.175
H11 C5 H17 106.245 H12 C6 H18 106.175

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