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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/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8626   0.8626 0.0000 0.0000
C2 0.0000 0.7446 -0.7909   -0.7909 0.7446 0.0000
C3 0.0000 -0.7446 -0.7909   -0.7909 -0.7446 0.0000
H4 -0.9166 1.2501 -1.0776   -1.0776 1.2501 -0.9166
H5 0.9166 1.2501 -1.0776   -1.0776 1.2501 0.9166
H6 0.9166 -1.2501 -1.0776   -1.0776 -1.2501 0.9166
H7 -0.9166 -1.2501 -1.0776   -1.0776 -1.2501 -0.9166
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8133 1.8133 2.4833 2.4833 2.4833 2.4833
C2 1.8133 1.4891 1.0853 1.0853 2.2138 2.2138
C3 1.8133 1.4891 2.2138 2.2138 1.0853 1.0853
H4 2.4833 1.0853 2.2138 1.8331 3.1003 2.5003
H5 2.4833 1.0853 2.2138 1.8331 2.5003 3.1003
H6 2.4833 2.2138 1.0853 3.1003 2.5003 1.8331
H7 2.4833 2.2138 1.0853 2.5003 3.1003 1.8331
Maximum atom distance is 3.1003Å 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 65.758 S1 C3 C2 65.758
C2 S1 C3 48.485
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.603 S1 C2 H5 115.603
S1 C3 H6 115.603 S1 C3 H7 115.603
C2 C3 H6 117.765 C2 C3 H7 117.765
C3 C2 H4 117.765 C3 C2 H5 117.765
H4 C2 H5 115.241 H6 C3 H7 115.241

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