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Geometry for C2H5 (Ethyl radical) 2A' CS

1910171554
InChI=1S/C2H5/c1-2/h1H2,2H3 INChIKey=QUPDWYMUPZLYJZ-UHFFFAOYSA-N

B3LYPultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0118 -0.6933 0.0000   -0.6934 0.0000 -0.0054
C2 -0.0118 0.7952 0.0000   0.7951 0.0000 -0.0192
H3 1.0199 -1.1088 0.0000   -1.0992 0.0000 1.0301
H4 -0.5096 -1.1072 0.8936   -1.1119 0.8936 -0.4992
H5 -0.5096 -1.1072 -0.8936   -1.1119 -0.8936 -0.4992
H6 0.0705 1.3556 -0.9348   1.3562 -0.9348 0.0579
H7 0.0705 1.3556 0.9348   1.3562 0.9348 0.0579
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 H6 H7
C1 1.4885 1.1122 1.1034 1.1034 2.2536 2.2536
C2 1.4885 2.1656 2.1599 2.1599 1.0930 1.0930
H3 1.1122 2.1656 1.7713 1.7713 2.8015 2.8015
H4 1.1034 2.1599 1.7713 1.7871 3.1217 2.5305
H5 1.1034 2.1599 1.7713 1.7871 2.5305 3.1217
H6 2.2536 1.0930 2.8015 3.1217 2.5305 1.8697
H7 2.2536 1.0930 2.8015 2.5305 3.1217 1.8697
Maximum atom distance is 3.1217Å between atoms H4 and H6.
picture of Ethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 120.842 C1 C2 H7 120.842
C2 C1 H3 111.937 C2 C1 H4 112.031
C2 C1 H5 112.031 H3 C1 H4 106.159
H3 C1 H5 106.159 H4 C1 H5 108.156
H6 C2 H7 117.581

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