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Geometry for C2H4S (Thiirane) 1A1 C2V

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

LSDA/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 0.8576   0.8576 0.0000 0.0000
C2 0.0000 0.7354 -0.7874   -0.7874 0.7354 0.0000
C3 0.0000 -0.7354 -0.7874   -0.7874 -0.7354 0.0000
H4 -0.9209 1.2504 -1.0682   -1.0682 1.2504 -0.9209
H5 0.9209 1.2504 -1.0682   -1.0682 1.2504 0.9209
H6 0.9209 -1.2504 -1.0682   -1.0682 -1.2504 0.9209
H7 -0.9209 -1.2504 -1.0682   -1.0682 -1.2504 -0.9209
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8019 1.8019 2.4739 2.4739 2.4739 2.4739
C2 1.8019 1.4709 1.0918 1.0918 2.2069 2.2069
C3 1.8019 1.4709 2.2069 2.2069 1.0918 1.0918
H4 2.4739 1.0918 2.2069 1.8418 3.1058 2.5008
H5 2.4739 1.0918 2.2069 1.8418 2.5008 3.1058
H6 2.4739 2.2069 1.0918 3.1058 2.5008 1.8418
H7 2.4739 2.2069 1.0918 2.5008 3.1058 1.8418
Maximum atom distance is 3.1058Å 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 65.911 S1 C3 C2 65.911
C2 S1 C3 48.177
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.296 S1 C2 H5 115.296
S1 C3 H6 115.296 S1 C3 H7 115.296
C2 C3 H6 118.142 C2 C3 H7 118.142
C3 C2 H4 118.142 C3 C2 H5 118.142
H4 C2 H5 115.011 H6 C3 H7 115.011

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