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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

B1B95/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5013 0.6666 0.0000   -1.5975 0.3827 0.0000
C2 0.0000 0.8123 0.0000   -0.4935 -0.6451 0.0000
H3 1.9670 1.6637 0.0000   -2.5731 -0.1262 0.0000
H4 1.8467 0.1250 0.8902   -1.5427 1.0227 0.8902
H5 1.8467 0.1250 -0.8902   -1.5427 1.0227 -0.8902
Cl6 -0.8200 -0.7919 0.0000   1.1324 0.1308 0.0000
H7 -0.3643 1.3377 0.8907   -0.5235 -1.2838 0.8907
H8 -0.3643 1.3377 -0.8907   -0.5235 -1.2838 -0.8907
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5084 1.1005 1.0978 1.0978 2.7415 2.1736 2.1736
C2 1.5084 2.1434 2.1622 2.1622 1.8016 1.0965 1.0965
H3 1.1005 2.1434 1.7817 1.7817 3.7145 2.5169 2.5169
H4 1.0978 2.1622 1.7817 1.7804 2.9571 2.5217 3.0872
H5 1.0978 2.1622 1.7817 1.7804 2.9571 3.0872 2.5217
Cl6 2.7415 1.8016 3.7145 2.9571 2.9571 2.3530 2.3530
H7 2.1736 1.0965 2.5169 2.5217 3.0872 2.3530 1.7815
H8 2.1736 1.0965 2.5169 3.0872 2.5217 2.3530 1.7815
Maximum atom distance is 3.7145Å 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 111.534
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 112.145 C1 C2 H8 112.145
C2 C1 H3 109.495 C2 C1 H4 111.146
C2 C1 H5 111.146 H3 C1 H4 108.295
H3 C1 H5 108.295 H4 C1 H5 108.373
Cl6 C2 H7 105.993 Cl6 C2 H8 105.993
H7 C2 H8 108.656

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