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Geometry for C2H5Br (Ethyl bromide) 1A' CS

1910171554
InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 INChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N

HSEh1PBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5706 -2.0287 0.0000   -2.0647 -0.4219 0.0000
C2 0.5958 -1.0728 0.0000   -1.0268 0.6721 0.0000
Br3 0.0000 0.7947 0.0000   0.7926 -0.0576 0.0000
H4 1.2192 -1.1779 0.8864   -1.0864 1.3015 0.8864
H5 1.2192 -1.1779 -0.8864   -1.0864 1.3015 -0.8864
H6 -0.1975 -3.0588 0.0000   -3.0650 0.0249 0.0000
H7 -1.1962 -1.8946 0.8844   -1.9764 -1.0556 0.8844
H8 -1.1962 -1.8946 -0.8844   -1.9764 -1.0556 -0.8844
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5080 2.8804 2.1709 2.1709 1.0956 1.0916 1.0916
C2 1.5080 1.9602 1.0888 1.0888 2.1385 2.1607 2.1607
Br3 2.8804 1.9602 2.4826 2.4826 3.8585 3.0733 3.0733
H4 2.1709 1.0888 2.4826 1.7728 2.5160 2.5195 3.0795
H5 2.1709 1.0888 2.4826 1.7728 2.5160 3.0795 2.5195
H6 1.0956 2.1385 3.8585 2.5160 2.5160 1.7705 1.7705
H7 1.0916 2.1607 3.0733 2.5195 3.0795 1.7705 1.7688
H8 1.0916 2.1607 3.0733 3.0795 2.5195 1.7705 1.7688
Maximum atom distance is 3.8585Å between atoms Br3 and H6.
picture of Ethyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 Br3 111.641
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.437 C1 C2 H5 112.437
C2 C1 H6 109.425 C2 C1 H7 111.433
C2 C1 H8 111.433 Br3 C2 H4 105.426
Br3 C2 H5 105.426 H4 C2 H5 109.006
H6 C1 H7 108.100 H6 C1 H8 108.100
H7 C1 H8 108.234

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