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Geometry for C2H4S (Thiirane) 1A1 C2V

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

CID/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 0.9283   0.9283 0.0000 0.0000
C2 0.0000 0.7431 -0.8655   -0.8655 0.7431 0.0000
C3 0.0000 -0.7431 -0.8655   -0.8655 -0.7431 0.0000
H4 -0.9178 1.2556 -1.1168   -1.1168 1.2556 -0.9178
H5 0.9178 1.2556 -1.1168   -1.1168 1.2556 0.9178
H6 0.9178 -1.2556 -1.1168   -1.1168 -1.2556 0.9178
H7 -0.9178 -1.2556 -1.1168   -1.1168 -1.2556 -0.9178
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9416 1.9416 2.5693 2.5693 2.5693 2.5693
C2 1.9416 1.4861 1.0809 1.0809 2.2136 2.2136
C3 1.9416 1.4861 2.2136 2.2136 1.0809 1.0809
H4 2.5693 1.0809 2.2136 1.8356 3.1105 2.5112
H5 2.5693 1.0809 2.2136 1.8356 2.5112 3.1105
H6 2.5693 2.2136 1.0809 3.1105 2.5112 1.8356
H7 2.5693 2.2136 1.0809 2.5112 3.1105 1.8356
Maximum atom distance is 3.1105Å 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 67.499 S1 C3 C2 67.499
C2 S1 C3 45.003
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.349 S1 C2 H5 113.349
S1 C3 H6 113.349 S1 C3 H7 113.349
C2 C3 H6 118.307 C2 C3 H7 118.307
C3 C2 H4 118.307 C3 C2 H5 118.307
H4 C2 H5 116.239 H6 C3 H7 116.239

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