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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP3=FULL/aug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8757   0.8757 0.0000 0.0000
C2 0.0000 0.7464 -0.8079   -0.8079 0.7464 0.0000
C3 0.0000 -0.7464 -0.8079   -0.8079 -0.7464 0.0000
H4 -0.9236 1.2591 -1.0794   -1.0794 1.2591 -0.9236
H5 0.9236 1.2591 -1.0794   -1.0794 1.2591 0.9236
H6 0.9236 -1.2591 -1.0794   -1.0794 -1.2591 0.9236
H7 -0.9236 -1.2591 -1.0794   -1.0794 -1.2591 -0.9236
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8417 1.8417 2.5022 2.5022 2.5022 2.5022
C2 1.8417 1.4928 1.0907 1.0907 2.2246 2.2246
C3 1.8417 1.4928 2.2246 2.2246 1.0907 1.0907
H4 2.5022 1.0907 2.2246 1.8472 3.1231 2.5182
H5 2.5022 1.0907 2.2246 1.8472 2.5182 3.1231
H6 2.5022 2.2246 1.0907 3.1231 2.5182 1.8472
H7 2.5022 2.2246 1.0907 2.5182 3.1231 1.8472
Maximum atom distance is 3.1231Å 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 66.090 S1 C3 C2 66.090
C2 S1 C3 47.820
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.714 S1 C2 H5 114.714
S1 C3 H6 114.714 S1 C3 H7 114.714
C2 C3 H6 118.038 C2 C3 H7 118.038
C3 C2 H4 118.038 C3 C2 H5 118.038
H4 C2 H5 115.732 H6 C3 H7 115.732

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