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Geometry for C2H4S (Thiirane) 1A1 C2V

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

PBEPBE/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 0.9202   0.9202 0.0000 0.0000
C2 0.0000 0.7438 -0.8562   -0.8562 0.7438 0.0000
C3 0.0000 -0.7438 -0.8562   -0.8562 -0.7438 0.0000
H4 -0.9226 1.2704 -1.1125   -1.1125 1.2704 -0.9226
H5 0.9226 1.2704 -1.1125   -1.1125 1.2704 0.9226
H6 0.9226 -1.2704 -1.1125   -1.1125 -1.2704 0.9226
H7 -0.9226 -1.2704 -1.1125   -1.1125 -1.2704 -0.9226
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9258 1.9258 2.5685 2.5685 2.5685 2.5685
C2 1.9258 1.4877 1.0928 1.0928 2.2303 2.2303
C3 1.9258 1.4877 2.2303 2.2303 1.0928 1.0928
H4 2.5685 1.0928 2.2303 1.8452 3.1401 2.5408
H5 2.5685 1.0928 2.2303 1.8452 2.5408 3.1401
H6 2.5685 2.2303 1.0928 3.1401 2.5408 1.8452
H7 2.5685 2.2303 1.0928 2.5408 3.1401 1.8452
Maximum atom distance is 3.1401Å 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 67.279 S1 C3 C2 67.279
C2 S1 C3 45.441
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.735 S1 C2 H5 113.735
S1 C3 H6 113.735 S1 C3 H7 113.735
C2 C3 H6 118.809 C2 C3 H7 118.809
C3 C2 H4 118.809 C3 C2 H5 118.809
H4 C2 H5 115.183 H6 C3 H7 115.183

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