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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

LSDA/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5673 -2.0104 0.0000   -1.9646 -0.7099 0.0000
C2 0.5923 -1.0623 0.0000   -1.1020 0.5146 0.0000
Br3 0.0000 0.7877 0.0000   0.7857 0.0564 0.0000
H4 1.2234 -1.1695 0.8952   -1.2541 1.1365 0.8952
H5 1.2234 -1.1695 -0.8952   -1.2541 1.1365 -0.8952
H6 -0.1966 -3.0516 0.0000   -3.0297 -0.4147 0.0000
H7 -1.1999 -1.8718 0.8919   -1.7810 -1.3309 0.8919
H8 -1.1999 -1.8718 -0.8919   -1.7810 -1.3309 -0.8919
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.4978 2.8550 2.1715 2.1715 1.1053 1.1022 1.1022
C2 1.4978 1.9425 1.1005 1.1005 2.1400 2.1593 2.1593
Br3 2.8550 1.9425 2.4756 2.4756 3.8444 3.0510 3.0510
H4 2.1715 1.1005 2.4756 1.7904 2.5220 2.5230 3.0918
H5 2.1715 1.1005 2.4756 1.7904 2.5220 3.0918 2.5230
H6 1.1053 2.1400 3.8444 2.5220 2.5220 1.7872 1.7872
H7 1.1022 2.1593 3.0510 2.5230 3.0918 1.7872 1.7838
H8 1.1022 2.1593 3.0510 3.0918 2.5230 1.7872 1.7838
Maximum atom distance is 3.8444Å 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 111.517
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.482 C1 C2 H5 112.482
C2 C1 H6 109.673 C2 C1 H7 111.392
C2 C1 H8 111.392 Br3 C2 H4 105.519
Br3 C2 H5 105.519 H4 C2 H5 108.859
H6 C1 H7 108.114 H6 C1 H8 108.114
H7 C1 H8 108.037

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