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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

B3LYP/LANL2DZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5180 0.7200 0.0000   -1.6480 -0.3269 0.0000
C2 0.0000 0.8660 0.0000   -0.2118 -0.8397 0.0000
H3 1.9812 1.7177 0.0000   -2.3411 -1.1811 0.0000
H4 1.8636 0.1812 0.8887   -1.8513 0.2800 0.8887
H5 1.8636 0.1812 -0.8887   -1.8513 0.2800 -0.8887
Cl6 -0.8268 -0.8420 0.0000   1.0076 0.6143 0.0000
H7 -0.3803 1.3592 0.8962   0.0364 -1.4109 0.8962
H8 -0.3803 1.3592 -0.8962   0.0364 -1.4109 -0.8962
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5250 1.1000 1.0952 1.0952 2.8174 2.1944 2.1944
C2 1.5250 2.1565 2.1752 2.1752 1.8977 1.0914 1.0914
H3 1.1000 2.1565 1.7789 1.7789 3.7996 2.5512 2.5512
H4 1.0952 2.1752 1.7789 1.7774 3.0125 2.5343 3.0998
H5 1.0952 2.1752 1.7789 1.7774 3.0125 3.0998 2.5343
Cl6 2.8174 1.8977 3.7996 3.0125 3.0125 2.4183 2.4183
H7 2.1944 1.0914 2.5512 2.5343 3.0998 2.4183 1.7925
H8 2.1944 1.0914 2.5512 3.0998 2.5343 2.4183 1.7925
Maximum atom distance is 3.7996Å 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 110.334
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.965 C1 C2 H8 112.965
C2 C1 H3 109.408 C2 C1 H4 111.173
C2 C1 H5 111.173 H3 C1 H4 108.259
H3 C1 H5 108.259 H4 C1 H5 108.477
Cl6 C2 H7 104.768 Cl6 C2 H8 104.768
H7 C2 H8 110.408

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