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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

MP2=FULL/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5752 -2.0268 0.0000   -1.9805 -0.7186 0.0000
C2 0.5999 -1.0642 0.0000   -1.1043 0.5222 0.0000
Br3 0.0000 0.7923 0.0000   0.7903 0.0566 0.0000
H4 1.2284 -1.1790 0.8941   -1.2638 1.1410 0.8941
H5 1.2284 -1.1790 -0.8941   -1.2638 1.1410 -0.8941
H6 -0.2003 -3.0641 0.0000   -3.0419 -0.4188 0.0000
H7 -1.2023 -1.8816 0.8921   -1.7909 -1.3337 0.8921
H8 -1.2023 -1.8816 -0.8921   -1.7909 -1.3337 -0.8921
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5190 2.8772 2.1843 2.1843 1.1029 1.1000 1.1000
C2 1.5190 1.9510 1.0990 1.0990 2.1540 2.1706 2.1706
Br3 2.8772 1.9510 2.4889 2.4889 3.8616 3.0645 3.0645
H4 2.1843 1.0990 2.4889 1.7883 2.5287 2.5302 3.0972
H5 2.1843 1.0990 2.4889 1.7883 2.5287 3.0972 2.5302
H6 1.1029 2.1540 3.8616 2.5287 2.5287 1.7882 1.7882
H7 1.1000 2.1706 3.0645 2.5302 3.0972 1.7882 1.7841
H8 1.1000 2.1706 3.0645 3.0972 2.5302 1.7882 1.7841
Maximum atom distance is 3.8616Å 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 111.419
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.099 C1 C2 H5 112.099
C2 C1 H6 109.456 C2 C1 H7 110.939
C2 C1 H8 110.939 Br3 C2 H4 105.980
Br3 C2 H5 105.980 H4 C2 H5 108.899
H6 C1 H7 108.532 H6 C1 H8 108.532
H7 C1 H8 108.376

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