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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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0107 0.5446 0.0000   0.0000 0.5431 -0.0409
C2 -0.0107 -0.2027 1.3165   1.3165 -0.2030 0.0006
C3 -0.0107 -0.2027 -1.3165   -1.3165 -0.2030 0.0006
H4 0.2564 1.6054 0.0000   0.0000 1.6172 0.1670
H5 -0.7624 -1.0132 1.3086   1.3086 -1.0539 -0.7050
H6 -0.7624 -1.0132 -1.3086   -1.3086 -1.0539 -0.7050
H7 0.9711 -0.6760 1.5267   1.5267 -0.6211 1.0071
H8 -0.2409 0.4688 2.1598   2.1598 0.4547 -0.2665
H9 0.9711 -0.6760 -1.5267   -1.5267 -0.6211 1.0071
H10 -0.2409 0.4688 -2.1598   -2.1598 0.4547 -0.2665
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5138 1.5138 1.0939 2.1689 2.1689 2.1874 2.1734 2.1874 2.1734
C2 1.5138 2.6331 2.2525 1.1054 2.8484 1.1100 1.1023 3.0450 3.5481
C3 1.5138 2.6331 2.2525 2.8484 1.1054 3.0450 3.5481 1.1100 1.1023
H4 1.0939 2.2525 2.2525 3.0996 3.0996 2.8367 2.4908 2.8367 2.4908
H5 2.1689 1.1054 2.8484 3.0996 2.6173 1.7794 1.7868 3.3403 3.8077
H6 2.1689 2.8484 1.1054 3.0996 2.6173 3.3403 3.8077 1.7794 1.7868
H7 2.1874 1.1100 3.0450 2.8367 1.7794 3.3403 1.7834 3.0534 4.0460
H8 2.1734 1.1023 3.5481 2.4908 1.7868 3.8077 1.7834 4.0460 4.3197
H9 2.1874 3.0450 1.1100 2.8367 3.3403 1.7794 3.0534 4.0460 1.7834
H10 2.1734 3.5481 1.1023 2.4908 3.8077 1.7868 4.0460 4.3197 1.7834
Maximum atom distance is 4.3197Å 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 120.843
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.836 C1 C2 H7 112.034
C1 C2 H8 111.387 C1 C3 H6 110.836
C1 C3 H9 112.034 C1 C3 H10 111.387
C2 C1 H4 118.599 C3 C1 H4 118.599
H5 C2 H7 106.866 H5 C2 H8 108.062
H6 C3 H9 106.866 H6 C3 H10 108.062
H7 C2 H8 107.437 H9 C3 H10 107.437

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