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Geometry for C2H4S (Thiirane) 1A1 C2V

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

TPSSh/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 0.8675   0.8675 0.0000 0.0000
C2 0.0000 0.7425 -0.7975   -0.7975 0.7425 0.0000
C3 0.0000 -0.7425 -0.7975   -0.7975 -0.7425 0.0000
H4 -0.9157 1.2576 -1.0776   -1.0776 1.2576 -0.9157
H5 0.9157 1.2576 -1.0776   -1.0776 1.2576 0.9157
H6 0.9157 -1.2576 -1.0776   -1.0776 -1.2576 0.9157
H7 -0.9157 -1.2576 -1.0776   -1.0776 -1.2576 -0.9157
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8230 1.8230 2.4906 2.4906 2.4906 2.4906
C2 1.8230 1.4850 1.0873 1.0873 2.2175 2.2175
C3 1.8230 1.4850 2.2175 2.2175 1.0873 1.0873
H4 2.4906 1.0873 2.2175 1.8314 3.1113 2.5152
H5 2.4906 1.0873 2.2175 1.8314 2.5152 3.1113
H6 2.4906 2.2175 1.0873 3.1113 2.5152 1.8314
H7 2.4906 2.2175 1.0873 2.5152 3.1113 1.8314
Maximum atom distance is 3.1113Å 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 65.965 S1 C3 C2 65.965
C2 S1 C3 48.069
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.353 S1 C2 H5 115.353
S1 C3 H6 115.353 S1 C3 H7 115.353
C2 C3 H6 118.277 C2 C3 H7 118.277
C3 C2 H4 118.277 C3 C2 H5 118.277
H4 C2 H5 114.738 H6 C3 H7 114.738

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