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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP3=FULL/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 0.8706   0.8706 0.0000 0.0000
C2 0.0000 0.7465 -0.7996   -0.7996 0.7465 0.0000
C3 0.0000 -0.7465 -0.7996   -0.7996 -0.7465 0.0000
H4 -0.9227 1.2595 -1.0836   -1.0836 1.2595 -0.9227
H5 0.9227 1.2595 -1.0836   -1.0836 1.2595 0.9227
H6 0.9227 -1.2595 -1.0836   -1.0836 -1.2595 0.9227
H7 -0.9227 -1.2595 -1.0836   -1.0836 -1.2595 -0.9227
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8295 1.8295 2.5014 2.5014 2.5014 2.5014
C2 1.8295 1.4931 1.0933 1.0933 2.2263 2.2263
C3 1.8295 1.4931 2.2263 2.2263 1.0933 1.0933
H4 2.5014 1.0933 2.2263 1.8455 3.1227 2.5191
H5 2.5014 1.0933 2.2263 1.8455 2.5191 3.1227
H6 2.5014 2.2263 1.0933 3.1227 2.5191 1.8455
H7 2.5014 2.2263 1.0933 2.5191 3.1227 1.8455
Maximum atom distance is 3.1227Å 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 65.918 S1 C3 C2 65.918
C2 S1 C3 48.165
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.381 S1 C2 H5 115.381
S1 C3 H6 115.381 S1 C3 H7 115.381
C2 C3 H6 117.984 C2 C3 H7 117.984
C3 C2 H4 117.984 C3 C2 H5 117.984
H4 C2 H5 115.131 H6 C3 H7 115.131

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