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Geometry for C3H6S (Thietane) 1A' CS

1910171554
InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2 INChIKey=XSROQCDVUIHRSI-UHFFFAOYSA-N

B1B95/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.3845 1.0196 0.0000   -0.0020 0.3845 1.0196
C2 -0.2322 -0.2880 1.1371   1.1383 -0.2262 -0.2880
C3 -0.2322 -0.2880 -1.1371   -1.1358 -0.2381 -0.2880
C4 -0.2322 -1.3144 0.0000   0.0012 -0.2322 -1.3144
H5 -1.2308 -0.0442 1.4993   1.5058 -1.2229 -0.0442
H6 0.4248 -0.4925 1.9797   1.9775 0.4352 -0.4925
H7 -1.2308 -0.0442 -1.4993   -1.4929 -1.2387 -0.0442
H8 0.4248 -0.4925 -1.9797   -1.9820 0.4144 -0.4925
H9 -1.0630 -2.0226 0.0000   0.0056 -1.0630 -2.0226
H10 0.7027 -1.8753 0.0000   -0.0037 0.7027 -1.8753
Atom - Atom Distances (Å)
  S1 C2 C3 C4 H5 H6 H7 H8 H9 H10
S1 1.8393 1.8393 2.4141 2.4472 2.4915 2.4472 2.4915 3.3690 2.9124
C2 1.8393 2.2742 1.5318 1.0900 1.0879 2.8297 3.1919 2.2343 2.1648
C3 1.8393 2.2742 1.5318 2.8297 3.1919 1.0900 1.0879 2.2343 2.1648
C4 2.4141 1.5318 1.5318 2.2043 2.2420 2.2043 2.2420 1.0917 1.0902
H5 2.4472 1.0900 2.8297 2.2043 1.7812 2.9987 3.8789 2.4880 3.0560
H6 2.4915 1.0879 3.1919 2.2420 1.7812 3.8789 3.9595 2.9110 2.4308
H7 2.4472 2.8297 1.0900 2.2043 2.9987 3.8789 1.7812 2.4880 3.0560
H8 2.4915 3.1919 1.0879 2.2420 3.8789 3.9595 1.7812 2.9110 2.4308
H9 3.3690 2.2343 2.2343 1.0917 2.4880 2.9110 2.4880 2.9110 1.7718
H10 2.9124 2.1648 2.1648 1.0902 3.0560 2.4308 3.0560 2.4308 1.7718
Maximum atom distance is 3.9595Å between atoms H6 and H8.
picture of Thietane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 91.001 S1 C3 C4 91.001
C2 S1 C3 76.370 C2 C4 C3 95.857
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H5 110.707 S1 C2 H6 114.208
S1 C3 H7 110.707 S1 C3 H8 114.208
C2 C4 H9 115.764 C2 C4 H10 110.166
C3 C4 H9 115.764 C3 C4 H10 110.166
C4 C2 H5 113.367 C4 C2 H6 116.684
C4 C3 H7 113.367 C4 C3 H8 116.684
H5 C2 H6 109.747 H7 C3 H8 109.747
H9 C4 H10 108.593

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