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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

CCD/cc-pVDZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.2222 -0.6603 0.3931   0.6605 -1.2220 0.3931
C2 0.0001 1.5282 -0.0001   -1.5282 -0.0001 -0.0001
C3 1.2222 -0.6605 -0.3929   0.6603 1.2223 -0.3929
C4 1.2222 0.6603 0.3931   -0.6605 1.2220 0.3931
C5 -0.0001 -1.5282 -0.0001   1.5282 0.0001 -0.0001
C6 -1.2222 0.6605 -0.3929   -0.6603 -1.2223 -0.3929
H7 -1.1898 -0.4290 1.4758   0.4292 -1.1897 1.4758
H8 -0.2666 2.1911 0.8445   -2.1911 -0.2669 0.8445
H9 2.1587 -1.2219 -0.2231   1.2216 2.1589 -0.2231
H10 1.1898 0.4290 1.4758   -0.4292 1.1897 1.4758
H11 0.2666 -2.1911 0.8445   2.1911 0.2669 0.8445
H12 -2.1587 1.2219 -0.2231   -1.2216 -2.1589 -0.2231
H13 -2.1588 -1.2216 0.2235   1.2220 -2.1586 0.2235
H14 0.2671 2.1906 -0.8451   -2.1906 0.2667 -0.8451
H15 1.1901 -0.4291 -1.4757   0.4289 1.1902 -1.4757
H16 2.1588 1.2216 0.2235   -1.2220 2.1586 0.2235
H17 -0.2671 -2.1906 -0.8451   2.1906 -0.2667 -0.8451
H18 -1.1901 0.4291 -1.4757   -0.4289 -1.1902 -1.4757
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18
C1 2.5374 2.5676 2.7783 1.5495 1.5370 1.1077 3.0410 3.4821 2.8595 2.1825 2.1908 1.1051 3.4465 3.0602 3.8732 2.1879 2.1634
C2 2.5374 2.5373 1.5495 3.0563 1.5496 2.7249 1.1064 3.5032 2.1913 3.8233 2.1918 3.5032 1.1064 2.7248 2.1918 3.8229 2.1913
C3 2.5676 2.5373 1.5370 1.5496 2.7784 3.0599 3.4466 1.1051 2.1634 2.1880 3.8733 3.4822 3.0406 1.1077 2.1908 2.1825 2.8598
C4 2.7783 1.5495 1.5370 2.5374 2.5676 2.8595 2.1825 2.1908 1.1077 3.0410 3.4821 3.8732 2.1879 2.1634 1.1051 3.4465 3.0602
C5 1.5495 3.0563 1.5496 2.5374 2.5373 2.1913 3.8233 2.1918 2.7249 1.1064 3.5032 2.1918 3.8229 2.1913 3.5032 1.1064 2.7248
C6 1.5370 1.5496 2.7784 2.5676 2.5373 2.1634 2.1880 3.8733 3.0599 3.4466 1.1051 2.1908 2.1825 2.8598 3.4822 3.0406 1.1077
H7 1.1077 2.7249 3.0599 2.8595 2.1913 2.1634 2.8489 3.8376 2.5296 2.3716 2.5594 1.7708 3.7910 3.7915 3.9378 3.0563 3.0737
H8 3.0410 1.1064 3.4466 2.1825 3.8233 2.1880 2.8489 4.3209 2.3716 4.4146 2.3789 3.9514 1.7719 3.7909 2.6848 4.6962 3.0563
H9 3.4821 3.5032 1.1051 2.1908 2.1918 3.8733 3.8376 4.3209 2.5594 2.3789 4.9611 4.3405 3.9510 1.7708 2.4840 2.6851 3.9382
H10 2.8595 2.1913 2.1634 1.1077 2.7249 3.0599 2.5296 2.3716 2.5594 2.8489 3.8376 3.9378 3.0563 3.0737 1.7708 3.7910 3.7915
H11 2.1825 3.8233 2.1880 3.0410 1.1064 3.4466 2.3716 4.4146 2.3789 2.8489 4.3209 2.6848 4.6962 3.0563 3.9514 1.7719 3.7909
H12 2.1908 2.1918 3.8733 3.4821 3.5032 1.1051 2.5594 2.3789 4.9611 3.8376 4.3209 2.4840 2.6851 3.9382 4.3405 3.9510 1.7708
H13 1.1051 3.5032 3.4822 3.8732 2.1918 2.1908 1.7708 3.9514 4.3405 3.9378 2.6848 2.4840 4.3209 3.8380 4.9610 2.3790 2.5594
H14 3.4465 1.1064 3.0406 2.1879 3.8229 2.1825 3.7910 1.7719 3.9510 3.0563 4.6962 2.6851 4.3209 2.8482 2.3790 4.4136 2.3714
H15 3.0602 2.7248 1.1077 2.1634 2.1913 2.8598 3.7915 3.7909 1.7708 3.0737 3.0563 3.9382 3.8380 2.8482 2.5594 2.3714 2.5302
H16 3.8732 2.1918 2.1908 1.1051 3.5032 3.4822 3.9378 2.6848 2.4840 1.7708 3.9514 4.3405 4.9610 2.3790 2.5594 4.3209 3.8380
H17 2.1879 3.8229 2.1825 3.4465 1.1064 3.0406 3.0563 4.6962 2.6851 3.7910 1.7719 3.9510 2.3790 4.4136 2.3714 4.3209 2.8482
H18 2.1634 2.1913 2.8598 3.0602 2.7248 1.1077 3.0737 3.0563 3.9382 3.7915 3.7909 1.7708 2.5594 2.3714 2.5302 3.8380 2.8482
Maximum atom distance is 4.9611Å 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 55.945 C1 C6 C3 65.884
C2 C4 C3 110.582 C4 C2 C5 55.945
C4 C3 C6 65.884 C5 C1 C6 110.582
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H11 109.390 C1 C5 H17 109.806
C1 C6 H12 110.979 C1 C6 H18 108.685
C2 C4 H10 109.996 C2 C4 H16 110.184
C2 C5 H11 126.813 C2 C5 H17 126.780
C3 C4 H10 108.687 C3 C4 H16 110.979
C3 C6 H12 170.800 C3 C6 H18 82.834
C4 C2 H8 109.390 C4 C2 H14 109.806
C4 C3 H9 110.979 C4 C3 H15 108.685
C5 C1 H7 109.996 C5 C1 H13 110.184
C5 C2 H8 126.813 C5 C2 H14 126.780
C6 C1 H7 108.687 C6 C1 H13 110.979
C6 C3 H9 170.800 C6 C3 H15 82.834
H7 C1 H13 106.312 H8 C2 H14 106.407
H9 C3 H15 106.312 H10 C4 H16 106.312
H11 C5 H17 106.407 H12 C6 H18 106.312

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