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Geometry for CH3CH2Cl (Ethyl chloride) 1A' CS

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

MP2/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.5008 0.6417 0.0000   -1.5829 0.3983 0.0000
C2 0.0000 0.8118 0.0000   -0.4916 -0.6460 0.0000
H3 1.9756 1.6228 0.0000   -2.5549 -0.0949 0.0000
H4 1.8256 0.0971 0.8829   -1.5116 1.0283 0.8829
H5 1.8256 0.0971 -0.8829   -1.5116 1.0283 -0.8829
Cl6 -0.8198 -0.7770 0.0000   1.1229 0.1218 0.0000
H7 -0.3474 1.3352 0.8851   -0.5321 -1.2729 0.8851
H8 -0.3474 1.3352 -0.8851   -0.5321 -1.2729 -0.8851
Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C1 1.5104 1.0899 1.0870 1.0870 2.7199 2.1634 2.1634
C2 1.5104 2.1356 2.1502 2.1502 1.7878 1.0854 1.0854
H3 1.0899 2.1356 1.7691 1.7691 3.6841 2.5025 2.5025
H4 1.0870 2.1502 1.7691 1.7658 2.9227 2.5010 3.0628
H5 1.0870 2.1502 1.7691 1.7658 2.9227 3.0628 2.5010
Cl6 2.7199 1.7878 3.6841 2.9227 2.9227 2.3383 2.3383
H7 2.1634 1.0854 2.5025 2.5010 3.0628 2.3383 1.7702
H8 2.1634 1.0854 2.5025 3.0628 2.5010 2.3383 1.7702
Maximum atom distance is 3.6841Å 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 110.829
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.861 C1 C2 H8 111.861
C2 C1 H3 109.357 C2 C1 H4 110.693
C2 C1 H5 110.693 H3 C1 H4 108.710
H3 C1 H5 108.710 H4 C1 H5 108.629
Cl6 C2 H7 106.366 Cl6 C2 H8 106.366
H7 C2 H8 109.267

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