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Geometry for C2H4S (Thiirane) 1A1 C2V

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

CCD/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8641   0.8641 0.0000 0.0000
C2 0.0000 0.7430 -0.7921   -0.7921 0.7430 0.0000
C3 0.0000 -0.7430 -0.7921   -0.7921 -0.7430 0.0000
H4 -0.9112 1.2497 -1.0801   -1.0801 1.2497 -0.9112
H5 0.9112 1.2497 -1.0801   -1.0801 1.2497 0.9112
H6 0.9112 -1.2497 -1.0801   -1.0801 -1.2497 0.9112
H7 -0.9112 -1.2497 -1.0801   -1.0801 -1.2497 -0.9112
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8153 1.8153 2.4844 2.4844 2.4844 2.4844
C2 1.8153 1.4859 1.0817 1.0817 2.2100 2.2100
C3 1.8153 1.4859 2.2100 2.2100 1.0817 1.0817
H4 2.4844 1.0817 2.2100 1.8224 3.0932 2.4994
H5 2.4844 1.0817 2.2100 1.8224 2.4994 3.0932
H6 2.4844 2.2100 1.0817 3.0932 2.4994 1.8224
H7 2.4844 2.2100 1.0817 2.4994 3.0932 1.8224
Maximum atom distance is 3.0932Å 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 65.840 S1 C3 C2 65.840
C2 S1 C3 48.320
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.761 S1 C2 H5 115.761
S1 C3 H6 115.761 S1 C3 H7 115.761
C2 C3 H6 117.935 C2 C3 H7 117.935
C3 C2 H4 117.935 C3 C2 H5 117.935
H4 C2 H5 114.793 H6 C3 H7 114.793

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