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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5739 -2.0485 0.0000   -2.0026 -0.7178 0.0000
C2 0.5978 -1.0856 0.0000   -1.1252 0.5193 0.0000
Br3 0.0000 0.8026 0.0000   0.8006 0.0570 0.0000
H4 1.2316 -1.1836 0.9009   -1.2681 1.1445 0.9009
H5 1.2316 -1.1836 -0.9009   -1.2681 1.1445 -0.9009
H6 -0.1902 -3.0917 0.0000   -3.0704 -0.4091 0.0000
H7 -1.2084 -1.9144 0.8978   -1.8239 -1.3412 0.8978
H8 -1.2084 -1.9144 -0.8978   -1.8239 -1.3412 -0.8978
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5166 2.9083 2.1953 2.1953 1.1115 1.1075 1.1075
C2 1.5166 1.9806 1.1059 1.1059 2.1554 2.1807 2.1807
Br3 2.9083 1.9806 2.5048 2.5048 3.8990 3.1063 3.1063
H4 2.1953 1.1059 2.5048 1.8017 2.5444 2.5471 3.1182
H5 2.1953 1.1059 2.5048 1.8017 2.5444 3.1182 2.5471
H6 1.1115 2.1554 3.8990 2.5444 2.5444 1.7969 1.7969
H7 1.1075 2.1807 3.1063 2.5471 3.1182 1.7969 1.7956
H8 1.1075 2.1807 3.1063 3.1182 2.5471 1.7969 1.7956
Maximum atom distance is 3.8990Å 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 111.848
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.736 C1 C2 H5 112.736
C2 C1 H6 109.224 C2 C1 H7 111.454
C2 C1 H8 111.454 Br3 C2 H4 104.925
Br3 C2 H5 104.925 H4 C2 H5 109.100
H6 C1 H7 108.142 H6 C1 H8 108.142
H7 C1 H8 108.314

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