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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

MP2/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0131 0.5550 0.0000   -0.0356 0.5539 -0.0131
C2 -0.0131 -0.2057 1.3244   1.3348 -0.1204 -0.0131
C3 -0.0131 -0.2057 -1.3244   -1.3085 -0.2901 -0.0131
H4 0.3054 1.6037 0.0000   -0.1028 1.6004 0.3054
H5 -0.7608 -1.0211 1.3062   1.3690 -0.9353 -0.7608
H6 -0.7608 -1.0211 -1.3062   -1.2381 -1.1027 -0.7608
H7 0.9740 -0.6739 1.5297   1.5697 -0.5745 0.9740
H8 -0.2477 0.4622 2.1717   2.1376 0.6004 -0.2477
H9 0.9740 -0.6739 -1.5297   -1.4833 -0.7706 0.9740
H10 -0.2477 0.4622 -2.1717   -2.1968 0.3220 -0.2477
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5273 1.5273 1.0960 2.1793 2.1793 2.1965 2.1863 2.1965 2.1863
C2 1.5273 2.6487 2.2648 1.1065 2.8537 1.1117 1.1040 3.0560 3.5669
C3 1.5273 2.6487 2.2648 2.8537 1.1065 3.0560 3.5669 1.1117 1.1040
H4 1.0960 2.2648 2.2648 3.1197 3.1197 2.8239 2.5150 2.8239 2.5150
H5 2.1793 1.1065 2.8537 3.1197 2.6124 1.7832 1.7923 3.3425 3.8156
H6 2.1793 2.8537 1.1065 3.1197 2.6124 3.3425 3.8156 1.7832 1.7923
H7 2.1965 1.1117 3.0560 2.8239 1.7832 3.3425 1.7875 3.0593 4.0599
H8 2.1863 1.1040 3.5669 2.5150 1.7923 3.8156 1.7875 4.0599 4.3433
H9 2.1965 3.0560 1.1117 2.8239 3.3425 1.7832 3.0593 4.0599 1.7875
H10 2.1863 3.5669 1.1040 2.5150 3.8156 1.7923 4.0599 4.3433 1.7875
Maximum atom distance is 4.3433Å 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 120.257
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.661 C1 C2 H7 111.712
C1 C2 H8 111.360 C1 C3 H6 110.661
C1 C3 H9 111.712 C1 C3 H10 111.360
C2 C1 H4 118.461 C3 C1 H4 118.461
H5 C2 H7 107.015 H5 C2 H8 108.350
H6 C3 H9 107.015 H6 C3 H10 108.350
H7 C2 H8 107.557 H9 C3 H10 107.557

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