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Geometry for C2H4S (Thiirane) 1A1 C2V

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

HSEh1PBE/daug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8608   0.8608 0.0000 0.0000
C2 0.0000 0.7380 -0.7920   -0.7920 0.7380 0.0000
C3 0.0000 -0.7380 -0.7920   -0.7920 -0.7380 0.0000
H4 -0.9137 1.2493 -1.0672   -1.0672 1.2493 -0.9137
H5 0.9137 1.2493 -1.0672   -1.0672 1.2493 0.9137
H6 0.9137 -1.2493 -1.0672   -1.0672 -1.2493 0.9137
H7 -0.9137 -1.2493 -1.0672   -1.0672 -1.2493 -0.9137
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8100 1.8100 2.4724 2.4724 2.4724 2.4724
C2 1.8100 1.4761 1.0826 1.0826 2.2045 2.2045
C3 1.8100 1.4761 2.2045 2.2045 1.0826 1.0826
H4 2.4724 1.0826 2.2045 1.8274 3.0955 2.4985
H5 2.4724 1.0826 2.2045 1.8274 2.4985 3.0955
H6 2.4724 2.2045 1.0826 3.0955 2.4985 1.8274
H7 2.4724 2.2045 1.0826 2.4985 3.0955 1.8274
Maximum atom distance is 3.0955Å 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 65.937 S1 C3 C2 65.937
C2 S1 C3 48.126
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.134 S1 C2 H5 115.134
S1 C3 H6 115.134 S1 C3 H7 115.134
C2 C3 H6 118.180 C2 C3 H7 118.180
C3 C2 H4 118.180 C3 C2 H5 118.180
H4 C2 H5 115.128 H6 C3 H7 115.128

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