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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8627   0.8627 0.0000 0.0000
C2 0.0000 0.7408 -0.7945   -0.7945 0.7408 0.0000
C3 0.0000 -0.7408 -0.7945   -0.7945 -0.7408 0.0000
H4 -0.9147 1.2533 -1.0672   -1.0672 1.2533 -0.9147
H5 0.9147 1.2533 -1.0672   -1.0672 1.2533 0.9147
H6 0.9147 -1.2533 -1.0672   -1.0672 -1.2533 0.9147
H7 -0.9147 -1.2533 -1.0672   -1.0672 -1.2533 -0.9147
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8152 1.8152 2.4763 2.4763 2.4763 2.4763
C2 1.8152 1.4817 1.0834 1.0834 2.2108 2.2108
C3 1.8152 1.4817 2.2108 2.2108 1.0834 1.0834
H4 2.4763 1.0834 2.2108 1.8294 3.1031 2.5065
H5 2.4763 1.0834 2.2108 1.8294 2.5065 3.1031
H6 2.4763 2.2108 1.0834 3.1031 2.5065 1.8294
H7 2.4763 2.2108 1.0834 2.5065 3.1031 1.8294
Maximum atom distance is 3.1031Å 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 65.912 S1 C3 C2 65.912
C2 S1 C3 48.175
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.017 S1 C2 H5 115.017
S1 C3 H6 115.017 S1 C3 H7 115.017
C2 C3 H6 118.228 C2 C3 H7 118.228
C3 C2 H4 118.228 C3 C2 H5 118.228
H4 C2 H5 115.201 H6 C3 H7 115.201

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