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Geometry for C2H4S (Thiirane) 1A1 C2V

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

BLYP/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9418   0.9418 0.0000 0.0000
C2 0.0000 0.7463 -0.8816   -0.8816 0.7463 0.0000
C3 0.0000 -0.7463 -0.8816   -0.8816 -0.7463 0.0000
H4 -0.9266 1.2672 -1.1224   -1.1224 1.2672 -0.9266
H5 0.9266 1.2672 -1.1224   -1.1224 1.2672 0.9266
H6 0.9266 -1.2672 -1.1224   -1.1224 -1.2672 0.9266
H7 -0.9266 -1.2672 -1.1224   -1.1224 -1.2672 -0.9266
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9703 1.9703 2.5934 2.5934 2.5934 2.5934
C2 1.9703 1.4926 1.0899 1.0899 2.2296 2.2296
C3 1.9703 1.4926 2.2296 2.2296 1.0899 1.0899
H4 2.5934 1.0899 2.2296 1.8532 3.1397 2.5344
H5 2.5934 1.0899 2.2296 1.8532 2.5344 3.1397
H6 2.5934 2.2296 1.0899 3.1397 2.5344 1.8532
H7 2.5934 2.2296 1.0899 2.5344 3.1397 1.8532
Maximum atom distance is 3.1397Å 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 67.742 S1 C3 C2 67.742
C2 S1 C3 44.517
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 112.674 S1 C2 H5 112.674
S1 C3 H6 112.674 S1 C3 H7 112.674
C2 C3 H6 118.549 C2 C3 H7 118.549
C3 C2 H4 118.549 C3 C2 H5 118.549
H4 C2 H5 116.460 H6 C3 H7 116.460

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