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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/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8616   0.8616 0.0000 0.0000
C2 0.0000 0.7397 -0.7904   -0.7904 0.7397 0.0000
C3 0.0000 -0.7397 -0.7904   -0.7904 -0.7397 0.0000
H4 -0.9108 1.2495 -1.0754   -1.0754 1.2495 -0.9108
H5 0.9108 1.2495 -1.0754   -1.0754 1.2495 0.9108
H6 0.9108 -1.2495 -1.0754   -1.0754 -1.2495 0.9108
H7 -0.9108 -1.2495 -1.0754   -1.0754 -1.2495 -0.9108
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8100 1.8100 2.4785 2.4785 2.4785 2.4785
C2 1.8100 1.4793 1.0820 1.0820 2.2063 2.2063
C3 1.8100 1.4793 2.2063 2.2063 1.0820 1.0820
H4 2.4785 1.0820 2.2063 1.8216 3.0924 2.4990
H5 2.4785 1.0820 2.2063 1.8216 2.4990 3.0924
H6 2.4785 2.2063 1.0820 3.0924 2.4990 1.8216
H7 2.4785 2.2063 1.0820 2.4990 3.0924 1.8216
Maximum atom distance is 3.0924Å 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 65.880 S1 C3 C2 65.880
C2 S1 C3 48.240
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.658 S1 C2 H5 115.658
S1 C3 H6 115.658 S1 C3 H7 115.658
C2 C3 H6 118.110 C2 C3 H7 118.110
C3 C2 H4 118.110 C3 C2 H5 118.110
H4 C2 H5 114.657 H6 C3 H7 114.657

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