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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

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0170 0.5647 0.0000   -0.0448 0.5629 -0.0170
C2 -0.0170 -0.1891 1.3145   1.3253 -0.0842 -0.0170
C3 -0.0170 -0.1891 -1.3145   -1.2953 -0.2927 -0.0170
H4 0.2936 1.6000 0.0000   -0.1269 1.5950 0.2936
H5 -0.7813 -0.9645 1.3211   1.3934 -0.8567 -0.7813
H6 -0.7813 -0.9645 -1.3211   -1.2404 -1.0663 -0.7813
H7 0.9414 -0.6833 1.4960   1.5455 -0.5625 0.9414
H8 -0.2049 0.4748 2.1535   2.1090 0.6441 -0.2049
H9 0.9414 -0.6833 -1.4960   -1.4371 -0.7998 0.9414
H10 -0.2049 0.4748 -2.1535   -2.1843 0.3025 -0.2049
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5152 1.5152 1.0809 2.1605 2.1605 2.1711 2.1635 2.1711 2.1635
C2 1.5152 2.6289 2.2417 1.0888 2.8516 1.0935 1.0862 3.0102 3.5359
C3 1.5152 2.6289 2.2417 2.8516 1.0888 3.0102 3.5359 1.0935 1.0862
H4 1.0809 2.2417 2.2417 3.0786 3.0786 2.8056 2.4803 2.8056 2.4803
H5 2.1605 1.0888 2.8516 3.0786 2.6422 1.7542 1.7597 3.3140 3.8048
H6 2.1605 2.8516 1.0888 3.0786 2.6422 3.3140 3.8048 1.7542 1.7597
H7 2.1711 1.0935 3.0102 2.8056 1.7542 3.3140 1.7571 2.9920 3.9967
H8 2.1635 1.0862 3.5359 2.4803 1.7597 3.8048 1.7571 3.9967 4.3069
H9 2.1711 3.0102 1.0935 2.8056 3.3140 1.7542 2.9920 3.9967 1.7571
H10 2.1635 3.5359 1.0862 2.4803 3.8048 1.7597 3.9967 4.3069 1.7571
Maximum atom distance is 4.3069Å 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 120.337
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.074 C1 C2 H7 111.645
C1 C2 H8 111.470 C1 C3 H6 111.074
C1 C3 H9 111.645 C1 C3 H10 111.470
C2 C1 H4 118.455 C3 C1 H4 118.455
H5 C2 H7 106.995 H5 C2 H8 108.008
H6 C3 H9 106.995 H6 C3 H10 108.008
H7 C2 H8 107.435 H9 C3 H10 107.435

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