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Geometry for C6H10 (cyclohexene) 1A C2

1910171554
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2 INChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0056 -0.6707 1.3033   -0.6682 1.3033 -0.0580
C2 0.0056 0.6707 1.3033   0.6682 1.3033 0.0580
C3 0.0000 1.5021 0.0420   1.4975 0.0420 0.1174
C4 0.0000 -1.5021 0.0420   -1.4975 0.0420 -0.1174
C5 -0.3799 0.6648 -1.1847   0.6924 -1.1847 -0.3268
C6 0.3799 -0.6648 -1.1847   -0.6924 -1.1847 0.3268
H7 -0.0236 -1.2072 2.2538   -1.2016 2.2538 -0.1179
H8 0.0236 1.2072 2.2538   1.2016 2.2538 0.1179
H9 0.9949 1.9540 -0.1052   1.8702 -0.1052 1.1446
H10 -0.9949 -1.9540 -0.1052   -1.8702 -0.1052 -1.1446
H11 -0.6973 2.3453 0.1571   2.3926 0.1571 -0.5119
H12 0.6973 -2.3453 0.1571   -2.3926 0.1571 0.5119
H13 -1.4612 0.4601 -1.1634   0.5729 -1.1634 -1.4208
H14 1.4612 -0.4601 -1.1634   -0.5729 -1.1634 1.4208
H15 -0.1803 1.2285 -2.1066   1.2388 -2.1066 -0.0838
H16 0.1803 -1.2285 -2.1066   -1.2388 -2.1066 0.0838
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 1.3415 2.5124 1.5107 2.8485 2.5177 1.0915 2.1049 3.1423 2.1470 3.2998 2.1476 3.0793 2.8776 3.9070 3.4602
C2 1.3415 1.5107 2.5124 2.5177 2.8485 2.1049 1.0915 2.1470 3.1423 2.1476 3.2998 2.8776 3.0793 3.4602 3.9070
C3 2.5124 1.5107 3.0042 1.5330 2.5188 3.4975 2.2314 1.1026 3.5994 1.1002 3.9118 2.1619 2.7274 2.1734 3.4793
C4 1.5107 2.5124 3.0042 2.5188 1.5330 2.2314 3.4975 3.5994 1.1026 3.9118 1.1002 2.7274 2.1619 3.4793 2.1734
C5 2.8485 2.5177 1.5330 2.5188 1.5313 3.9311 3.5043 2.1719 2.8985 2.1738 3.4672 1.1007 2.1576 1.0989 2.1790
C6 2.5177 2.8485 2.5188 1.5330 1.5313 3.5043 3.9311 2.8985 2.1719 3.4672 2.1738 2.1576 1.1007 2.1790 1.0989
H7 1.0915 2.1049 3.4975 2.2314 3.9311 3.5043 2.4148 4.0737 2.6582 4.1797 2.4922 4.0649 3.8000 4.9970 4.3652
H8 2.1049 1.0915 2.2314 3.4975 3.5043 3.9311 2.4148 2.6582 4.0737 2.4922 4.1797 3.8000 4.0649 4.3652 4.9970
H9 3.1423 2.1470 1.1026 3.5994 2.1719 2.8985 4.0737 2.6582 4.3853 1.7566 4.3175 3.0633 2.6767 2.4316 3.8467
H10 2.1470 3.1423 3.5994 1.1026 2.8985 2.1719 2.6582 4.0737 4.3853 4.3175 1.7566 2.6767 3.0633 3.8467 2.4316
H11 3.2998 2.1476 1.1002 3.9118 2.1738 3.4672 4.1797 2.4922 1.7566 4.3175 4.8935 2.4252 3.7780 2.5766 4.3205
H12 2.1476 3.2998 3.9118 1.1002 3.4672 2.1738 2.4922 4.1797 4.3175 1.7566 4.8935 3.7780 2.4252 4.3205 2.5766
H13 3.0793 2.8776 2.1619 2.7274 1.1007 2.1576 4.0649 3.8000 3.0633 2.6767 2.4252 3.7780 3.0638 1.7665 2.5368
H14 2.8776 3.0793 2.7274 2.1619 2.1576 1.1007 3.8000 4.0649 2.6767 3.0633 3.7780 2.4252 3.0638 2.5368 1.7665
H15 3.9070 3.4602 2.1734 3.4793 1.0989 2.1790 4.9970 4.3652 2.4316 3.8467 2.5766 4.3205 1.7665 2.5368 2.4833
H16 3.4602 3.9070 3.4793 2.1734 2.1790 1.0989 4.3652 4.9970 3.8467 2.4316 4.3205 2.5766 2.5368 1.7665 2.4833
Maximum atom distance is 4.9970Å between atoms H7 and H15.
picture of cyclohexene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.387 C1 C4 C6 111.616
C2 C1 C4 123.387 C2 C3 C5 111.616
C3 C5 C6 110.565 C4 C6 C5 110.565
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 119.445 C1 C4 H10 109.492
C1 C4 H12 109.680 C2 C1 H7 119.445
C2 C3 H9 109.492 C2 C3 H11 109.680
C3 C2 H8 117.167 C3 C5 H13 109.243
C3 C5 H15 110.248 C4 C1 H7 117.167
C4 C6 H14 109.243 C4 C6 H16 110.248
C5 C3 H9 109.912 C5 C3 H11 110.198
C5 C6 H14 109.025 C5 C6 H16 110.811
C6 C4 H10 109.912 C6 C4 H12 110.198
C6 C5 H13 109.025 C6 C5 H15 110.811
H9 C3 H11 105.773 H10 C4 H12 105.773
H13 C5 H15 106.856 H14 C6 H16 106.856

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