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Geometry for C2H3I (Vinyl iodide) 1A' CS

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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.4633 -1.4744 0.0000   -1.4538 0.5243 0.0000
C2 -0.4458 -2.4727 0.0000   -2.4892 -0.3424 0.0000
I3 0.0000 0.5888 0.0000   0.5883 -0.0245 0.0000
H4 1.5481 -1.6963 0.0000   -1.6303 1.6174 0.0000
H5 -1.5360 -2.2972 0.0000   -2.3592 -1.4390 0.0000
H6 -0.1175 -3.5289 0.0000   -3.5307 0.0296 0.0000
Atom - Atom Distances (Å)
  C1 C2 I3 H4 H5 H6
C1 1.3502 2.1146 1.1072 2.1620 2.1350
C2 1.3502 3.0938 2.1397 1.1043 1.1060
I3 2.1146 3.0938 2.7601 3.2693 4.1194
H4 1.1072 2.1397 2.7601 3.1421 2.4764
H5 2.1620 1.1043 3.2693 3.1421 1.8787
H6 2.1350 1.1060 4.1194 2.4764 1.8787
Maximum atom distance is 4.1194Å 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 125.023
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 123.174 C1 C2 H6 120.413
C2 C1 H4 120.759 I3 C1 H4 114.218
H5 C2 H6 116.413

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