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Geometry for C4H6 (1-Methylcyclopropene) 1A C1

1910171554
InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3 INChIKey=SHDPRTQPPWIEJG-UHFFFAOYSA-N

HF/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1721 0.0000   0.1476 0.0884 0.0000
C2 0.0058 -1.3231 0.0000   -1.1381 -0.6747 0.0000
C3 1.1544 -0.3670 0.0000   -0.9079 0.8019 0.0000
C4 -0.8852 1.3579 0.0000   1.6198 -0.0618 0.0000
H5 -0.2506 -1.8655 0.9033   -1.4718 -1.1734 0.9033
H6 -0.2506 -1.8655 -0.9033   -1.4718 -1.1734 -0.9033
H7 2.2176 -0.2806 0.0000   -1.3800 1.7584 0.0000
H8 -0.3102 2.2772 0.0000   2.1130 0.9037 0.0000
H9 -1.5282 1.3474 -0.8753   1.9411 -0.6189 -0.8753
H10 -1.5282 1.3474 0.8753   1.9411 -0.6189 0.8753
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.4952 1.2740 1.4798 2.2429 2.2429 2.2634 2.1278 2.1172 2.1172
C2 1.4952 1.4944 2.8252 1.0844 1.0844 2.4452 3.6141 3.2017 3.2017
C3 1.2740 1.4944 2.6712 2.2440 2.2440 1.0667 3.0227 3.3017 3.3017
C4 1.4798 2.8252 2.6712 3.4073 3.4073 3.5089 1.0842 1.0861 1.0861
H5 2.2429 1.0844 2.2440 3.4073 1.8067 3.0692 4.2404 3.8882 3.4577
H6 2.2429 1.0844 2.2440 3.4073 1.8067 3.0692 4.2404 3.4577 3.8882
H7 2.2634 2.4452 1.0667 3.5089 3.0692 3.0692 3.5961 4.1770 4.1770
H8 2.1278 3.6141 3.0227 1.0842 4.2404 4.2404 3.5961 1.7646 1.7646
H9 2.1172 3.2017 3.3017 1.0861 3.8882 3.4577 4.1770 1.7646 1.7505
H10 2.1172 3.2017 3.3017 1.0861 3.4577 3.8882 4.1770 1.7646 1.7505
Maximum atom distance is 4.2404Å between atoms H5 and H8.
picture of 1-Methylcyclopropene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C3 C6 24.710 C2 C3 C10 73.008
C2 C6 C3 35.176 C3 C2 C6 120.114
C6 C3 C10 86.834
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 50.448 H1 C2 C6 119.952
C2 C6 H4 49.457 C2 C6 H5 33.591
C3 C6 H4 51.546 C3 C6 H5 66.262
C3 C10 H7 9.418 C3 C10 H8 65.249
C3 C10 H9 74.627 H4 C6 H5 74.626
H7 C10 H8 58.834 H7 C10 H9 77.904
H8 C10 H9 60.264

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