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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

CID/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.1781 0.0000   0.1594 0.0794 0.0000
C2 -0.0953 -1.3524 0.0000   -1.1683 -0.6878 0.0000
C3 1.1460 -0.4481 0.0000   -0.9118 0.8263 0.0000
C4 -0.7916 1.4362 0.0000   1.6385 -0.0687 0.0000
H5 -0.3825 -1.8749 0.9116   -1.5081 -1.1778 0.9116
H6 -0.3825 -1.8749 -0.9116   -1.5081 -1.1778 -0.9116
H7 2.2209 -0.4196 0.0000   -1.3652 1.8014 0.0000
H8 -0.1345 2.3123 0.0000   2.1300 0.9098 0.0000
H9 -1.4383 1.4870 -0.8842   1.9721 -0.6251 -0.8842
H10 -1.4383 1.4870 0.8842   1.9721 -0.6251 0.8842
Atom - Atom Distances (Å)
  C1 C2 C3 C4 H5 H6 H7 H8 H9 H10
C1 1.5334 1.3060 1.4864 2.2786 2.2786 2.3000 2.1384 2.1363 2.1363
C2 1.5334 1.5357 2.8742 1.0893 1.0893 2.4970 3.6649 3.2630 3.2630
C3 1.3060 1.5357 2.7028 2.2810 2.2810 1.0753 3.0430 3.3474 3.3474
C4 1.4864 2.8742 2.7028 3.4586 3.4586 3.5383 1.0951 1.0967 1.0967
H5 2.2786 1.0893 2.2810 3.4586 1.8232 3.1188 4.2925 3.9550 3.5239
H6 2.2786 1.0893 2.2810 3.4586 1.8232 3.1188 4.2925 3.5239 3.9550
H7 2.3000 2.4970 1.0753 3.5383 3.1188 3.1188 3.6071 4.2198 4.2198
H8 2.1384 3.6649 3.0430 1.0951 4.2925 4.2925 3.6071 1.7784 1.7784
H9 2.1363 3.2630 3.3474 1.0967 3.9550 3.5239 4.2198 1.7784 1.7684
H10 2.1363 3.2630 3.3474 1.0967 3.5239 3.9550 4.2198 1.7784 1.7684
Maximum atom distance is 4.2925Å 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 24.505 C2 C3 C10 73.522
C2 C6 C3 35.787 C3 C2 C6 119.708
C6 C3 C10 87.124
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C3 50.366 H1 C2 C6 119.681
C2 C6 H4 49.560 C2 C6 H5 33.189
C3 C6 H4 51.324 C3 C6 H5 66.445
C3 C10 H7 9.594 C3 C10 H8 64.593
C3 C10 H9 74.684 H4 C6 H5 74.718
H7 C10 H8 57.979 H7 C10 H9 77.905
H8 C10 H9 60.186

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