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Geometry for C2H3I (Vinyl iodide) 1A' CS

1910171554
InChI=1S/C2H3I/c1-2-3/h2H,1H2 INChIKey=GHXZPUGJZVBLGC-UHFFFAOYSA-N

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4703 -1.5076 0.0000   -1.5255 0.4086 0.0000
C2 -0.4509 -2.4720 0.0000   -2.4516 -0.5511 0.0000
I3 0.0000 0.5917 0.0000   0.5912 0.0241 0.0000
H4 1.5460 -1.6928 0.0000   -1.7543 1.4758 0.0000
H5 -1.5242 -2.2682 0.0000   -2.2043 -1.6153 0.0000
H6 -0.1382 -3.5224 0.0000   -3.5139 -0.2814 0.0000
Atom - Atom Distances (Å)
  C1 C2 I3 H4 H5 H6
C1 1.3337 2.1514 1.0914 2.1347 2.1047
C2 1.3337 3.0967 2.1435 1.0925 1.0960
I3 2.1514 3.0967 2.7584 3.2408 4.1165
H4 1.0914 2.1435 2.7584 3.1236 2.4867
H5 2.1347 1.0925 3.2408 3.1236 1.8693
H6 2.1047 1.0960 4.1165 2.4867 1.8693
Maximum atom distance is 4.1165Å between atoms I3 and H6.
picture of Vinyl iodide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 I3 123.680
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 122.943 C1 C2 H6 119.728
C2 C1 H4 123.925 I3 C1 H4 112.395
H5 C2 H6 117.329

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