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Geometry for C2H5I (Ethyl iodide) 1A' CS

1910171554
InChI=1S/C2H5I/c1-2-3/h2H2,1H3 INChIKey=HVTICUPFWKNHNG-UHFFFAOYSA-N

HF/CEP-121G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.6164 -1.4664 0.0000   -1.4311 0.6943 0.0000
C2 -0.5860 -2.4136 0.0000   -2.4416 -0.4554 0.0000
I3 0.0000 0.6489 0.0000   0.6480 -0.0349 0.0000
H4 1.2262 -1.5662 0.8844   -1.4980 1.3086 0.8844
H5 1.2262 -1.5662 -0.8844   -1.4980 1.3086 -0.8844
H6 -0.2264 -3.4412 0.0000   -3.4483 -0.0410 0.0000
H7 -1.2040 -2.2701 0.8789   -2.3315 -1.0802 0.8789
H8 -1.2040 -2.2701 -0.8789   -2.3315 -1.0802 -0.8789
Atom - Atom Distances (Å)
  C1 C2 I3 H4 H5 H6 H7 H8
C1 1.5307 2.2033 1.0789 1.0789 2.1471 2.1753 2.1753
C2 1.5307 3.1181 2.1873 2.1873 1.0887 1.0839 1.0839
I3 2.2033 3.1181 2.6819 2.6819 4.0963 3.2776 3.2776
H4 1.0789 2.1873 2.6819 1.7688 2.5313 2.5301 3.0839
H5 1.0789 2.1873 2.6819 1.7688 2.5313 3.0839 2.5301
H6 2.1471 1.0887 4.0963 2.5313 2.5313 1.7605 1.7605
H7 2.1753 1.0839 3.2776 2.5301 3.0839 1.7605 1.7577
H8 2.1753 1.0839 3.2776 3.0839 2.5301 1.7605 1.7577
Maximum atom distance is 4.0963Å between atoms I3 and H6.
picture of Ethyl iodide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 I3 111.985
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 108.939 C1 C2 H7 111.464
C1 C2 H8 111.464 C2 C1 H4 112.753
C2 C1 H5 112.753 I3 C1 H4 104.296
I3 C1 H5 104.296 H4 C1 H5 110.115
H6 C2 H7 108.257 H6 C2 H8 108.257
H7 C2 H8 108.356

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