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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/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8710   0.8710 0.0000 0.0000
C2 0.0000 0.7468 -0.7996   -0.7996 0.7468 0.0000
C3 0.0000 -0.7468 -0.7996   -0.7996 -0.7468 0.0000
H4 -0.9244 1.2616 -1.0854   -1.0854 1.2616 -0.9244
H5 0.9244 1.2616 -1.0854   -1.0854 1.2616 0.9244
H6 0.9244 -1.2616 -1.0854   -1.0854 -1.2616 0.9244
H7 -0.9244 -1.2616 -1.0854   -1.0854 -1.2616 -0.9244
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8299 1.8299 2.5047 2.5047 2.5047 2.5047
C2 1.8299 1.4935 1.0960 1.0960 2.2293 2.2293
C3 1.8299 1.4935 2.2293 2.2293 1.0960 1.0960
H4 2.5047 1.0960 2.2293 1.8487 3.1280 2.5233
H5 2.5047 1.0960 2.2293 1.8487 2.5233 3.1280
H6 2.5047 2.2293 1.0960 3.1280 2.5233 1.8487
H7 2.5047 2.2293 1.0960 2.5233 3.1280 1.8487
Maximum atom distance is 3.1280Å 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 65.915 S1 C3 C2 65.915
C2 S1 C3 48.169
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.453 S1 C2 H5 115.453
S1 C3 H6 115.453 S1 C3 H7 115.453
C2 C3 H6 118.020 C2 C3 H7 118.020
C3 C2 H4 118.020 C3 C2 H5 118.020
H4 C2 H5 115.000 H6 C3 H7 115.000

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