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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

1910171554
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3 INChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5159 0.6549 0.0000   -1.6046 0.3900 0.0000
C2 0.0000 0.8168 0.0000   -0.4919 -0.6521 0.0000
H3 1.9944 1.6520 0.0000   -2.5871 -0.1179 0.0000
H4 1.8511 0.1036 0.8955   -1.5403 1.0319 0.8955
H5 1.8511 0.1036 -0.8955   -1.5403 1.0319 -0.8955
Cl6 -0.8287 -0.7881 0.0000   1.1361 0.1302 0.0000
H7 -0.3524 1.3539 0.8955   -0.5339 -1.2931 0.8955
H8 -0.3524 1.3539 -0.8955   -0.5339 -1.2931 -0.8955
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5245 1.1059 1.1037 1.1037 2.7530 2.1866 2.1866
C2 1.5245 2.1622 2.1765 2.1765 1.8062 1.1021 1.1021
H3 1.1059 2.1622 1.7944 1.7944 3.7314 2.5295 2.5295
H4 1.1037 2.1765 1.7944 1.7909 2.9628 2.5335 3.1026
H5 1.1037 2.1765 1.7944 1.7909 2.9628 3.1026 2.5335
Cl6 2.7530 1.8062 3.7314 2.9628 2.9628 2.3700 2.3700
H7 2.1866 1.1021 2.5295 2.5335 3.1026 2.3700 1.7910
H8 2.1866 1.1021 2.5295 3.1026 2.5335 2.3700 1.7910
Maximum atom distance is 3.7314Å between atoms H3 and Cl6.
picture of Ethyl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Cl6 111.210
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.699 C1 C2 H8 111.699
C2 C1 H3 109.540 C2 C1 H4 110.796
C2 C1 H5 110.796 H3 C1 H4 108.596
H3 C1 H5 108.596 H4 C1 H5 108.455
Cl6 C2 H7 106.635 Cl6 C2 H8 106.635
H7 C2 H8 108.697

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