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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

1910171554
InChI=1S/C2H4S/c1-2-3/h2H,1H3 INChIKey=QJFUMFCCMJJLIE-UHFFFAOYSA-N

LSDA/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6254 0.0000   0.3627 -0.5095 0.0000
C2 -1.4799 0.7033 0.0000   1.6135 0.2852 0.0000
S3 0.8725 -0.7388 0.0000   -1.1393 0.0959 0.0000
H4 0.5125 1.6056 0.0000   0.5136 -1.6052 0.0000
H5 -1.9316 -0.3010 0.0000   1.3991 1.3654 0.0000
H6 -1.8310 1.2720 0.8854   2.2294 0.0256 0.8854
H7 -1.8310 1.2720 -0.8854   2.2294 0.0256 -0.8854
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4819 1.6194 1.1061 2.1423 2.1342 2.1342
C2 1.4819 2.7592 2.1871 1.1012 1.1094 1.1094
S3 1.6194 2.7592 2.3719 2.8381 3.4838 3.4838
H4 1.1061 2.1871 2.3719 3.0998 2.5273 2.5273
H5 2.1423 1.1012 2.8381 3.0998 1.8079 1.8079
H6 2.1342 1.1094 3.4838 2.5273 1.8079 1.7709
H7 2.1342 1.1094 3.4838 2.5273 1.8079 1.7709
Maximum atom distance is 3.4838Å between atoms S3 and H6.
picture of Thioacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 S3 125.614
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.205 C1 C2 H6 110.064
C1 C2 H7 110.064 C2 C1 H4 114.591
S3 C1 H4 119.794 H5 C2 H6 109.733
H5 C2 H7 109.733 H6 C2 H7 105.905

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