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Geometry for CH3CHCH3 (Isopropyl radical) 2A C2

1910171554
InChI=1S/C3H7/c1-3-2/h3H,1-2H3 INChIKey=HNUALPPJLMYHDK-UHFFFAOYSA-N

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0134 0.5454 0.0000   0.0000 0.5433 -0.0489
C2 -0.0134 -0.2007 1.2968   1.2968 -0.2012 -0.0003
C3 -0.0134 -0.2007 -1.2968   -1.2968 -0.2012 -0.0003
H4 0.2972 1.5831 0.0000   0.0000 1.5991 0.1935
H5 -0.7593 -1.0014 1.2912   1.2912 -1.0487 -0.6925
H6 -0.7593 -1.0014 -1.2912   -1.2912 -1.0487 -0.6925
H7 0.9576 -0.6779 1.4914   1.4914 -0.6141 0.9997
H8 -0.2261 0.4560 2.1423   2.1423 0.4403 -0.2553
H9 0.9576 -0.6779 -1.4914   -1.4914 -0.6141 0.9997
H10 -0.2261 0.4560 -2.1423   -2.1423 0.4403 -0.2553
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4961 1.4961 1.0833 2.1485 2.1485 2.1595 2.1547 2.1595 2.1547
C2 1.4961 2.5936 2.2272 1.0942 2.8098 1.0993 1.0915 2.9908 3.5077
C3 1.4961 2.5936 2.2272 2.8098 1.0942 2.9908 3.5077 1.0993 1.0915
H4 1.0833 2.2272 2.2272 3.0762 3.0762 2.7880 2.4766 2.7880 2.4766
H5 2.1485 1.0942 2.8098 3.0762 2.5825 1.7585 1.7699 3.2856 3.7679
H6 2.1485 2.8098 1.0942 3.0762 2.5825 3.2856 3.7679 1.7585 1.7699
H7 2.1595 1.0993 2.9908 2.7880 1.7585 3.2856 1.7636 2.9829 3.9863
H8 2.1547 1.0915 3.5077 2.4766 1.7699 3.7679 1.7636 3.9863 4.2845
H9 2.1595 2.9908 1.0993 2.7880 3.2856 1.7585 2.9829 3.9863 1.7636
H10 2.1547 3.5077 1.0915 2.4766 3.7679 1.7699 3.9863 4.2845 1.7636
Maximum atom distance is 4.2845Å between atoms H8 and H10.
picture of Isopropyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 120.172
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.131 C1 C2 H7 111.713
C1 C2 H8 111.799 C1 C3 H6 111.131
C1 C3 H9 111.713 C1 C3 H10 111.799
C2 C1 H4 118.539 C3 C1 H4 118.539
H5 C2 H7 106.580 H5 C2 H8 108.143
H6 C3 H9 106.580 H6 C3 H10 108.143
H7 C2 H8 107.224 H9 C3 H10 107.224

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