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Geometry for C2H3Br (vinyl bromide) 1A' CS

1910171554
InChI=1S/C2H3Br/c1-2-3/h2H,1H2 INChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N

HF/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4535 -1.1111 0.0000   -1.1337 0.3937 0.0000
C2 -0.4374 -2.0672 0.0000   -2.0410 -0.5468 0.0000
Br3 0.0000 0.7232 0.0000   0.7221 0.0385 0.0000
H4 1.5098 -1.2764 0.0000   -1.3549 1.4398 0.0000
H5 -0.1146 -3.0913 0.0000   -3.0808 -0.2789 0.0000
H6 -1.4916 -1.8734 0.0000   -1.7914 -1.5891 0.0000
Atom - Atom Distances (Å)
  C1 C2 Br3 H4 H5 H6
C1 1.3068 1.8895 1.0692 2.0601 2.0891
C2 1.3068 2.8244 2.1017 1.0738 1.0718
Br3 1.8895 2.8244 2.5056 3.8162 2.9945
H4 1.0692 2.1017 2.5056 2.4357 3.0602
H5 2.0601 1.0738 3.8162 2.4357 1.8383
H6 2.0891 1.0718 2.9945 3.0602 1.8383
Maximum atom distance is 3.8162Å between atoms Br3 and H5.
picture of vinyl bromide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 Br3 123.134
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 119.525 C1 C2 H6 122.561
C2 C1 H4 124.086 Br3 C1 H4 112.780
H5 C2 H6 117.914

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