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Geometry for C2H4S (Thiirane) 1A1 C2V

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

B1B95/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9152   0.9152 0.0000 0.0000
C2 0.0000 0.7404 -0.8529   -0.8529 0.7404 0.0000
C3 0.0000 -0.7404 -0.8529   -0.8529 -0.7404 0.0000
H4 -0.9194 1.2530 -1.1021   -1.1021 1.2530 -0.9194
H5 0.9194 1.2530 -1.1021   -1.1021 1.2530 0.9194
H6 0.9194 -1.2530 -1.1021   -1.1021 -1.2530 0.9194
H7 -0.9194 -1.2530 -1.1021   -1.1021 -1.2530 -0.9194
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9169 1.9169 2.5465 2.5465 2.5465 2.5465
C2 1.9169 1.4808 1.0818 1.0818 2.2093 2.2093
C3 1.9169 1.4808 2.2093 2.2093 1.0818 1.0818
H4 2.5465 1.0818 2.2093 1.8389 3.1083 2.5060
H5 2.5465 1.0818 2.2093 1.8389 2.5060 3.1083
H6 2.5465 2.2093 1.0818 3.1083 2.5060 1.8389
H7 2.5465 2.2093 1.0818 2.5060 3.1083 1.8389
Maximum atom distance is 3.1083Å 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 67.278 S1 C3 C2 67.278
C2 S1 C3 45.444
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.295 S1 C2 H5 113.295
S1 C3 H6 113.295 S1 C3 H7 113.295
C2 C3 H6 118.284 C2 C3 H7 118.284
C3 C2 H4 118.284 C3 C2 H5 118.284
H4 C2 H5 116.414 H6 C3 H7 116.414

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