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Geometry for C2H4S (Thiirane) 1A1 C2V

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

B3LYP/SDD


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9175   0.9175 0.0000 0.0000
C2 0.0000 0.7458 -0.8535   -0.8535 0.7458 0.0000
C3 0.0000 -0.7458 -0.8535   -0.8535 -0.7458 0.0000
H4 -0.9168 1.2673 -1.1095   -1.1095 1.2673 -0.9168
H5 0.9168 1.2673 -1.1095   -1.1095 1.2673 0.9168
H6 0.9168 -1.2673 -1.1095   -1.1095 -1.2673 0.9168
H7 -0.9168 -1.2673 -1.1095   -1.1095 -1.2673 -0.9168
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9217 1.9217 2.5603 2.5603 2.5603 2.5603
C2 1.9217 1.4916 1.0853 1.0853 2.2268 2.2268
C3 1.9217 1.4916 2.2268 2.2268 1.0853 1.0853
H4 2.5603 1.0853 2.2268 1.8336 3.1283 2.5346
H5 2.5603 1.0853 2.2268 1.8336 2.5346 3.1283
H6 2.5603 2.2268 1.0853 3.1283 2.5346 1.8336
H7 2.5603 2.2268 1.0853 2.5346 3.1283 1.8336
Maximum atom distance is 3.1283Å 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 67.163 S1 C3 C2 67.163
C2 S1 C3 45.674
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.818 S1 C2 H5 113.818
S1 C3 H6 113.818 S1 C3 H7 113.818
C2 C3 H6 118.715 C2 C3 H7 118.715
C3 C2 H4 118.715 C3 C2 H5 118.715
H4 C2 H5 115.281 H6 C3 H7 115.281

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