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Geometry for C2H4S (Thiirane) 1A1 C2V

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

QCISD/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 0.8672   0.8672 0.0000 0.0000
C2 0.0000 0.7423 -0.7951   -0.7951 0.7423 0.0000
C3 0.0000 -0.7423 -0.7951   -0.7951 -0.7423 0.0000
H4 -0.9164 1.2538 -1.0837   -1.0837 1.2538 -0.9164
H5 0.9164 1.2538 -1.0837   -1.0837 1.2538 0.9164
H6 0.9164 -1.2538 -1.0837   -1.0837 -1.2538 0.9164
H7 -0.9164 -1.2538 -1.0837   -1.0837 -1.2538 -0.9164
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8206 1.8206 2.4935 2.4935 2.4935 2.4935
C2 1.8206 1.4847 1.0884 1.0884 2.2153 2.2153
C3 1.8206 1.4847 2.2153 2.2153 1.0884 1.0884
H4 2.4935 1.0884 2.2153 1.8327 3.1059 2.5076
H5 2.4935 1.0884 2.2153 1.8327 2.5076 3.1059
H6 2.4935 2.2153 1.0884 3.1059 2.5076 1.8327
H7 2.4935 2.2153 1.0884 2.5076 3.1059 1.8327
Maximum atom distance is 3.1059Å 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 65.936 S1 C3 C2 65.936
C2 S1 C3 48.127
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.702 S1 C2 H5 115.702
S1 C3 H6 115.702 S1 C3 H7 115.702
C2 C3 H6 118.030 C2 C3 H7 118.030
C3 C2 H4 118.030 C3 C2 H5 118.030
H4 C2 H5 114.693 H6 C3 H7 114.693

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