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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

wB97X-D/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0085 0.5390 0.0000   0.0000 0.5383 -0.0287
C2 -0.0085 -0.1991 1.2942   1.2942 -0.1992 -0.0010
C3 -0.0085 -0.1991 -1.2942   -1.2942 -0.1992 -0.0010
H4 0.1727 1.6145 0.0000   0.0000 1.6199 0.1120
H5 -0.7931 -0.9738 1.3139   1.3139 -1.0029 -0.7560
H6 -0.7931 -0.9738 -1.3139   -1.3139 -1.0029 -0.7560
H7 0.9498 -0.7278 1.4632   1.4632 -0.6916 0.9764
H8 -0.1668 0.4716 2.1483   2.1483 0.4650 -0.1844
H9 0.9498 -0.7278 -1.4632   -1.4632 -0.6916 0.9764
H10 -0.1668 0.4716 -2.1483   -2.1483 0.4650 -0.1844
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4899 1.4899 1.0906 2.1519 2.1519 2.1596 2.1552 2.1596 2.1552
C2 1.4899 2.5884 2.2353 1.1028 2.8316 1.1074 1.0975 2.9666 3.5108
C3 1.4899 2.5884 2.2353 2.8316 1.1028 2.9666 3.5108 1.1074 1.0975
H4 1.0906 2.2353 2.2353 3.0592 3.0592 2.8689 2.4570 2.8689 2.4570
H5 2.1519 1.1028 2.8316 3.0592 2.6277 1.7665 1.7827 3.2878 3.8037
H6 2.1519 2.8316 1.1028 3.0592 2.6277 3.2878 3.8037 1.7665 1.7827
H7 2.1596 1.1074 2.9666 2.8689 1.7665 3.2878 1.7762 2.9263 3.9659
H8 2.1552 1.0975 3.5108 2.4570 1.7827 3.8037 1.7762 3.9659 4.2966
H9 2.1596 2.9666 1.1074 2.8689 3.2878 1.7665 2.9263 3.9659 1.7762
H10 2.1552 3.5108 1.0975 2.4570 3.8037 1.7827 3.9659 4.2966 1.7762
Maximum atom distance is 4.2966Å 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 120.606
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.318 C1 C2 H7 111.658
C1 C2 H8 111.919 C1 C3 H6 111.318
C1 C3 H9 111.658 C1 C3 H10 111.919
C2 C1 H4 119.244 C3 C1 H4 119.244
H5 C2 H7 106.111 H5 C2 H8 108.228
H6 C3 H9 106.111 H6 C3 H10 108.228
H7 C2 H8 107.328 H9 C3 H10 107.328

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