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Geometry for C2H5Br (Ethyl bromide) 1A' CS

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

QCISD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.5739 -2.0214 0.0000   -1.9748 -0.7180 0.0000
C2 0.6000 -1.0641 0.0000   -1.1046 0.5218 0.0000
Br3 0.0000 0.7904 0.0000   0.7883 0.0570 0.0000
H4 1.2189 -1.1734 0.8849   -1.2581 1.1312 0.8849
H5 1.2189 -1.1734 -0.8849   -1.2581 1.1312 -0.8849
H6 -0.2057 -3.0494 0.0000   -3.0267 -0.4249 0.0000
H7 -1.1946 -1.8773 0.8829   -1.7863 -1.3268 0.8829
H8 -1.1946 -1.8773 -0.8829   -1.7863 -1.3268 -0.8829
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6 H7 H8
C1 1.5148 2.8698 2.1717 2.1717 1.0920 1.0888 1.0888
C2 1.5148 1.9492 1.0854 1.0854 2.1426 2.1591 2.1591
Br3 2.8698 1.9492 2.4749 2.4749 3.8453 3.0534 3.0534
H4 2.1717 1.0854 2.4749 1.7698 2.5164 2.5142 3.0734
H5 2.1717 1.0854 2.4749 1.7698 2.5164 3.0734 2.5142
H6 1.0920 2.1426 3.8453 2.5164 2.5164 1.7696 1.7696
H7 1.0888 2.1591 3.0534 2.5142 3.0734 1.7696 1.7657
H8 1.0888 2.1591 3.0534 3.0734 2.5142 1.7696 1.7657
Maximum atom distance is 3.8453Å 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 111.267
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H4 112.228 C1 C2 H5 112.228
C2 C1 H6 109.489 C2 C1 H7 110.990
C2 C1 H8 110.990 Br3 C2 H4 105.742
Br3 C2 H5 105.742 H4 C2 H5 109.235
H6 C1 H7 108.472 H6 C1 H8 108.472
H7 C1 H8 108.354

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