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Geometry for C6H10 (Bicyclo[3.1.0]hexane) 1A' CS

1910171554
InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2 INChIKey=JAPMJSVZDUYFKL-UHFFFAOYSA-N

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1830 1.4362 0.0000   1.3859 0.0000 -0.4188
C2 -0.9170 -1.2891 0.0000   -1.4234 0.0000 -0.6904
C3 0.2887 0.6299 1.2216   0.6690 1.2216 0.1801
C4 0.2887 0.6299 -1.2216   0.6690 -1.2216 0.1801
C5 0.2887 -0.8097 0.7502   -0.7506 0.7502 0.4190
C6 0.2887 -0.8097 -0.7502   -0.7506 -0.7502 0.4190
H7 -1.1028 -2.3534 0.0000   -2.5038 0.0000 -0.6970
H8 -1.8180 -0.6910 0.0000   -0.9832 0.0000 -1.6781
H9 -1.2689 1.5168 0.0000   1.2852 0.0000 -1.5030
H10 0.2080 2.4518 0.0000   2.4523 0.0000 -0.2018
H11 -0.3449 0.7951 2.0932   0.7268 2.0932 -0.4721
H12 -0.3449 0.7951 -2.0932   0.7268 -2.0932 -0.4721
H13 1.3051 0.9150 -1.4972   1.1189 -1.4972 1.1351
H14 1.3051 0.9150 1.4972   1.1189 1.4972 1.1351
H15 0.8671 -1.5343 1.3057   -1.3692 1.3057 1.1097
H16 0.8671 -1.5343 -1.3057   -1.3692 -1.3057 1.1097
Atom - Atom Distances (Å)
  C1 C2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16
C1 2.8224 1.5378 1.5378 2.4144 2.4144 3.8996 2.6829 1.0889 1.0883 2.1951 2.1951 2.1743 2.1743 3.4105 3.4105
C2 2.8224 2.5746 2.5746 1.4988 1.4988 1.0804 1.0814 2.8279 3.9065 3.0087 3.0087 3.4695 3.4695 2.2244 2.2244
C3 1.5378 2.5746 2.4432 1.5148 2.4414 3.5112 2.7704 2.1691 2.1951 1.0901 3.3788 2.9165 1.0910 2.2418 3.3772
C4 1.5378 2.5746 2.4432 2.4414 1.5148 3.5112 2.7704 2.1691 2.1951 3.3788 1.0901 1.0910 2.9165 3.3772 2.2418
C5 2.4144 1.4988 1.5148 2.4414 1.5004 2.2095 2.2393 2.8985 3.3477 2.1864 3.3259 3.0097 2.1368 1.0809 2.2553
C6 2.4144 1.4988 2.4414 1.5148 1.5004 2.2095 2.2393 2.8985 3.3477 3.3259 2.1864 2.1368 3.0097 2.2553 1.0809
H7 3.8996 1.0804 3.5112 3.5112 2.2095 2.2095 1.8097 3.8738 4.9808 3.8560 3.8560 4.3269 4.3269 2.5012 2.5012
H8 2.6829 1.0814 2.7704 2.7704 2.2393 2.2393 1.8097 2.2751 3.7393 2.9597 2.9597 3.8176 3.8176 3.1025 3.1025
H9 1.0889 2.8279 2.1691 2.1691 2.8985 2.8985 3.8738 2.2751 1.7480 2.3992 2.3992 3.0379 3.0379 3.9467 3.9467
H10 1.0883 3.9065 2.1951 2.1951 3.3477 3.3477 4.9808 3.7393 1.7480 2.7262 2.7262 2.4098 2.4098 4.2460 4.2460
H11 2.1951 3.0087 1.0901 3.3788 2.1864 3.3259 3.8560 2.9597 2.3992 2.7262 4.1863 3.9532 1.7584 2.7414 4.2950
H12 2.1951 3.0087 3.3788 1.0901 3.3259 2.1864 3.8560 2.9597 2.3992 2.7262 4.1863 1.7584 3.9532 4.2950 2.7414
H13 2.1743 3.4695 2.9165 1.0910 3.0097 2.1368 4.3269 3.8176 3.0379 2.4098 3.9532 1.7584 2.9944 3.7480 2.4956
H14 2.1743 3.4695 1.0910 2.9165 2.1368 3.0097 4.3269 3.8176 3.0379 2.4098 1.7584 3.9532 2.9944 2.4956 3.7480
H15 3.4105 2.2244 2.2418 3.3772 1.0809 2.2553 2.5012 3.1025 3.9467 4.2460 2.7414 4.2950 3.7480 2.4956 2.6114
H16 3.4105 2.2244 3.3772 2.2418 2.2553 1.0809 2.5012 3.1025 3.9467 4.2460 4.2950 2.7414 2.4956 3.7480 2.6114
Maximum atom distance is 4.9808Å between atoms H7 and H10.
picture of Bicyclo[3.1.0]hexane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 C5 104.542 C1 C4 C6 104.542
C2 C5 C3 117.372 C2 C5 C6 59.965
C2 C6 C4 117.372 C2 C6 C5 59.965
C3 C1 C4 105.190 C3 C5 C6 108.131
C4 C6 C5 108.131 C5 C2 C6 60.071
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H11 112.174 C1 C3 H14 110.451
C1 C4 H12 112.174 C1 C4 H13 110.451
C2 C5 H15 118.248 C2 C6 H16 118.248
C3 C1 H9 110.164 C3 C1 H10 112.278
C3 C5 H15 118.503 C4 C1 H9 110.164
C4 C1 H10 112.278 C4 C6 H16 118.503
C5 C2 H7 116.967 C5 C2 H8 119.557
C5 C3 H11 113.130 C5 C3 H14 109.085
C5 C6 H16 120.927 C6 C2 H7 116.967
C6 C2 H8 119.557 C6 C4 H12 113.130
C6 C4 H13 109.085 C6 C5 H15 120.927
H7 C2 H8 113.675 H9 C1 H10 106.811
H11 C3 H14 107.448 H12 C4 H13 107.448

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