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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/LANL2DZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 1.3498   1.3498 0.0000 0.0000
C2 0.0000 0.7552 -0.4406   -0.4406 0.7552 0.0000
C3 0.0000 -0.7552 -0.4406   -0.4406 -0.7552 0.0000
H4 -0.9250 1.2743 -0.7031   -0.7031 1.2743 -0.9250
H5 0.9250 1.2743 -0.7031   -0.7031 1.2743 0.9250
H6 0.9250 -1.2743 -0.7031   -0.7031 -1.2743 0.9250
H7 -0.9250 -1.2743 -0.7031   -0.7031 -1.2743 -0.9250
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9432 1.9432 2.5873 2.5873 2.5873 2.5873
C2 1.9432 1.5105 1.0927 1.0927 2.2459 2.2459
C3 1.9432 1.5105 2.2459 2.2459 1.0927 1.0927
H4 2.5873 1.0927 2.2459 1.8501 3.1494 2.5487
H5 2.5873 1.0927 2.2459 1.8501 2.5487 3.1494
H6 2.5873 2.2459 1.0927 3.1494 2.5487 1.8501
H7 2.5873 2.2459 1.0927 2.5487 3.1494 1.8501
Maximum atom distance is 3.1494Å 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 67.129 S1 C3 C2 67.129
C2 S1 C3 45.743
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.954 S1 C2 H5 113.954
S1 C3 H6 113.954 S1 C3 H7 113.954
C2 C3 H6 118.362 C2 C3 H7 118.362
C3 C2 H4 118.362 C3 C2 H5 118.362
H4 C2 H5 115.673 H6 C3 H7 115.673

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