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Geometry for C2H4S (Thiirane) 1A1 C2V

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

QCISD(T)=FULL/Def2TZVPP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8646   0.8646 0.0000 0.0000
C2 0.0000 0.7428 -0.7955   -0.7955 0.7428 0.0000
C3 0.0000 -0.7428 -0.7955   -0.7955 -0.7428 0.0000
H4 -0.9136 1.2475 -1.0719   -1.0719 1.2475 -0.9136
H5 0.9136 1.2475 -1.0719   -1.0719 1.2475 0.9136
H6 0.9136 -1.2475 -1.0719   -1.0719 -1.2475 0.9136
H7 -0.9136 -1.2475 -1.0719   -1.0719 -1.2475 -0.9136
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8187 1.8187 2.4781 2.4781 2.4781 2.4781
C2 1.8187 1.4856 1.0797 1.0797 2.2074 2.2074
C3 1.8187 1.4856 2.2074 2.2074 1.0797 1.0797
H4 2.4781 1.0797 2.2074 1.8271 3.0925 2.4951
H5 2.4781 1.0797 2.2074 1.8271 2.4951 3.0925
H6 2.4781 2.2074 1.0797 3.0925 2.4951 1.8271
H7 2.4781 2.2074 1.0797 2.4951 3.0925 1.8271
Maximum atom distance is 3.0925Å 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 65.895 S1 C3 C2 65.895
C2 S1 C3 48.211
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.125 S1 C2 H5 115.125
S1 C3 H6 115.125 S1 C3 H7 115.125
C2 C3 H6 117.871 C2 C3 H7 117.871
C3 C2 H4 117.871 C3 C2 H5 117.871
H4 C2 H5 115.585 H6 C3 H7 115.585

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