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Geometry for C2H4S (Thiirane) 1A1 C2V

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

M06-2X/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8619   0.8619 0.0000 0.0000
C2 0.0000 0.7399 -0.7929   -0.7929 0.7399 0.0000
C3 0.0000 -0.7399 -0.7929   -0.7929 -0.7399 0.0000
H4 -0.9148 1.2486 -1.0688   -1.0688 1.2486 -0.9148
H5 0.9148 1.2486 -1.0688   -1.0688 1.2486 0.9148
H6 0.9148 -1.2486 -1.0688   -1.0688 -1.2486 0.9148
H7 -0.9148 -1.2486 -1.0688   -1.0688 -1.2486 -0.9148
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8127 1.8127 2.4745 2.4745 2.4745 2.4745
C2 1.8127 1.4799 1.0825 1.0825 2.2062 2.2062
C3 1.8127 1.4799 2.2062 2.2062 1.0825 1.0825
H4 2.4745 1.0825 2.2062 1.8297 3.0958 2.4972
H5 2.4745 1.0825 2.2062 1.8297 2.4972 3.0958
H6 2.4745 2.2062 1.0825 3.0958 2.4972 1.8297
H7 2.4745 2.2062 1.0825 2.4972 3.0958 1.8297
Maximum atom distance is 3.0958Å 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 65.908 S1 C3 C2 65.908
C2 S1 C3 48.184
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.115 S1 C2 H5 115.115
S1 C3 H6 115.115 S1 C3 H7 115.115
C2 C3 H6 118.028 C2 C3 H7 118.028
C3 C2 H4 118.028 C3 C2 H5 118.028
H4 C2 H5 115.373 H6 C3 H7 115.373

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