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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-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5061 0.6530 0.0000   1.5956 -0.3858 0.0000
C2 0.0000 0.8144 0.0000   0.4905 0.6501 0.0000
H3 1.9771 1.6378 0.0000   2.5647 0.1167 0.0000
H4 1.8370 0.1100 0.8838   1.5327 -1.0185 0.8838
H5 1.8370 0.1100 -0.8838   1.5327 -1.0185 -0.8838
Cl6 -0.8229 -0.7846 0.0000   -1.1294 -0.1308 0.0000
H7 -0.3495 1.3384 0.8849   0.5271 1.2789 0.8849
H8 -0.3495 1.3384 -0.8849   0.5271 1.2789 -0.8849
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5147 1.0917 1.0888 1.0888 2.7369 2.1670 2.1670
C2 1.5147 2.1417 2.1568 2.1568 1.7983 1.0861 1.0861
H3 1.0917 2.1417 1.7706 1.7706 3.7024 2.5071 2.5071
H4 1.0888 2.1568 1.7706 1.7676 2.9421 2.5079 3.0688
H5 1.0888 2.1568 1.7706 1.7676 2.9421 3.0688 2.5079
Cl6 2.7369 1.7983 3.7024 2.9421 2.9421 2.3482 2.3482
H7 2.1670 1.0861 2.5071 2.5079 3.0688 2.3482 1.7697
H8 2.1670 1.0861 2.5071 3.0688 2.5079 2.3482 1.7697
Maximum atom distance is 3.7024Å 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 111.115
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.799 C1 C2 H8 111.799
C2 C1 H3 109.444 C2 C1 H4 110.812
C2 C1 H5 110.812 H3 C1 H4 108.590
H3 C1 H5 108.590 H4 C1 H5 108.532
Cl6 C2 H7 106.363 Cl6 C2 H8 106.363
H7 C2 H8 109.113

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