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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/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8641   0.8641 0.0000 0.0000
C2 0.0000 0.7419 -0.7919   -0.7919 0.7419 0.0000
C3 0.0000 -0.7419 -0.7919   -0.7919 -0.7419 0.0000
H4 -0.9104 1.2488 -1.0807   -1.0807 1.2488 -0.9104
H5 0.9104 1.2488 -1.0807   -1.0807 1.2488 0.9104
H6 0.9104 -1.2488 -1.0807   -1.0807 -1.2488 0.9104
H7 -0.9104 -1.2488 -1.0807   -1.0807 -1.2488 -0.9104
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8147 1.8147 2.4841 2.4841 2.4841 2.4841
C2 1.8147 1.4839 1.0813 1.0813 2.2080 2.2080
C3 1.8147 1.4839 2.2080 2.2080 1.0813 1.0813
H4 2.4841 1.0813 2.2080 1.8208 3.0909 2.4977
H5 2.4841 1.0813 2.2080 1.8208 2.4977 3.0909
H6 2.4841 2.2080 1.0813 3.0909 2.4977 1.8208
H7 2.4841 2.2080 1.0813 2.4977 3.0909 1.8208
Maximum atom distance is 3.0909Å 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 65.867 S1 C3 C2 65.867
C2 S1 C3 48.266
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.808 S1 C2 H5 115.808
S1 C3 H6 115.808 S1 C3 H7 115.808
C2 C3 H6 117.956 C2 C3 H7 117.956
C3 C2 H4 117.956 C3 C2 H5 117.956
H4 C2 H5 114.700 H6 C3 H7 114.700

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