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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/SDD


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9283   0.9283 0.0000 0.0000
C2 0.0000 0.7544 -0.8629   -0.8629 0.7544 0.0000
C3 0.0000 -0.7544 -0.8629   -0.8629 -0.7544 0.0000
H4 -0.9258 1.2724 -1.1246   -1.1246 1.2724 -0.9258
H5 0.9258 1.2724 -1.1246   -1.1246 1.2724 0.9258
H6 0.9258 -1.2724 -1.1246   -1.1246 -1.2724 0.9258
H7 -0.9258 -1.2724 -1.1246   -1.1246 -1.2724 -0.9258
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9436 1.9436 2.5866 2.5866 2.5866 2.5866
C2 1.9436 1.5088 1.0927 1.0927 2.2436 2.2436
C3 1.9436 1.5088 2.2436 2.2436 1.0927 1.0927
H4 2.5866 1.0927 2.2436 1.8517 3.1473 2.5449
H5 2.5866 1.0927 2.2436 1.8517 2.5449 3.1473
H6 2.5866 2.2436 1.0927 3.1473 2.5449 1.8517
H7 2.5866 2.2436 1.0927 2.5449 3.1473 1.8517
Maximum atom distance is 3.1473Å 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 67.161 S1 C3 C2 67.161
C2 S1 C3 45.678
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.871 S1 C2 H5 113.871
S1 C3 H6 113.871 S1 C3 H7 113.871
C2 C3 H6 118.299 C2 C3 H7 118.299
C3 C2 H4 118.299 C3 C2 H5 118.299
H4 C2 H5 115.838 H6 C3 H7 115.838

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