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Geometry for C2H4S (Thiirane) 1A1 C2V

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

PM3


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8740   0.8740 0.0000 0.0000
C2 0.0000 0.7450 -0.7883   -0.7883 0.7450 0.0000
C3 0.0000 -0.7450 -0.7883   -0.7883 -0.7450 0.0000
H4 -0.8930 1.2788 -1.1311   -1.1311 1.2788 -0.8930
H5 0.8930 1.2788 -1.1311   -1.1311 1.2788 0.8930
H6 0.8930 -1.2788 -1.1311   -1.1311 -1.2788 0.8930
H7 -0.8930 -1.2788 -1.1311   -1.1311 -1.2788 -0.8930
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8216 1.8216 2.5403 2.5403 2.5403 2.5403
C2 1.8216 1.4900 1.0954 1.0954 2.2385 2.2385
C3 1.8216 1.4900 2.2385 2.2385 1.0954 1.0954
H4 2.5403 1.0954 2.2385 1.7859 3.1194 2.5576
H5 2.5403 1.0954 2.2385 1.7859 2.5576 3.1194
H6 2.5403 2.2385 1.0954 3.1194 2.5576 1.7859
H7 2.5403 2.2385 1.0954 2.5576 3.1194 1.7859
Maximum atom distance is 3.1194Å 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 65.859 S1 C3 C2 65.859
C2 S1 C3 48.283
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 119.009 S1 C2 H5 119.009
S1 C3 H6 119.009 S1 C3 H7 119.009
C2 C3 H6 119.164 C2 C3 H7 119.164
C3 C2 H4 119.164 C3 C2 H5 119.164
H4 C2 H5 109.214 H6 C3 H7 109.214

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