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Geometry for C2H4S (Thiirane) 1A1 C2V

1910171554
InChI=1S/C2H4S/c1-2-3-1/h1-2H2 INChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N

B1B95/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8612   0.8612 0.0000 0.0000
C2 0.0000 0.7388 -0.7905   -0.7905 0.7388 0.0000
C3 0.0000 -0.7388 -0.7905   -0.7905 -0.7388 0.0000
H4 -0.9132 1.2514 -1.0735   -1.0735 1.2514 -0.9132
H5 0.9132 1.2514 -1.0735   -1.0735 1.2514 0.9132
H6 0.9132 -1.2514 -1.0735   -1.0735 -1.2514 0.9132
H7 -0.9132 -1.2514 -1.0735   -1.0735 -1.2514 -0.9132
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8094 1.8094 2.4786 2.4786 2.4786 2.4786
C2 1.8094 1.4776 1.0848 1.0848 2.2080 2.2080
C3 1.8094 1.4776 2.2080 2.2080 1.0848 1.0848
H4 2.4786 1.0848 2.2080 1.8264 3.0984 2.5029
H5 2.4786 1.0848 2.2080 1.8264 2.5029 3.0984
H6 2.4786 2.2080 1.0848 3.0984 2.5029 1.8264
H7 2.4786 2.2080 1.0848 2.5029 3.0984 1.8264
Maximum atom distance is 3.0984Å between atoms H4 and H6.
picture of Thiirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C3 65.901 S1 C3 C2 65.901
C2 S1 C3 48.198
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.540 S1 C2 H5 115.540
S1 C3 H6 115.540 S1 C3 H7 115.540
C2 C3 H6 118.200 C2 C3 H7 118.200
C3 C2 H4 118.200 C3 C2 H5 118.200
H4 C2 H5 114.659 H6 C3 H7 114.659

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