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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

CCD/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6214 0.0000   0.3500 -0.5134 0.0000
C2 -1.4930 0.6978 0.0000   1.6267 0.2643 0.0000
S3 0.8783 -0.7320 0.0000   -1.1380 0.1101 0.0000
H4 0.5123 1.5823 0.0000   0.4679 -1.5960 0.0000
H5 -1.9395 -0.2933 0.0000   1.4374 1.3347 0.0000
H6 -1.8336 1.2536 0.8774   2.2211 -0.0031 0.8774
H7 -1.8336 1.2536 -0.8774   2.2211 -0.0031 -0.8774
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4950 1.6133 1.0889 2.1444 2.1287 2.1287
C2 1.4950 2.7690 2.1917 1.0871 1.0930 1.0930
S3 1.6133 2.7690 2.3430 2.8517 3.4737 3.4737
H4 1.0889 2.1917 2.3430 3.0869 2.5260 2.5260
H5 2.1444 1.0871 2.8517 3.0869 1.7816 1.7816
H6 2.1287 1.0930 3.4737 2.5260 1.7816 1.7549
H7 2.1287 1.0930 3.4737 2.5260 1.7816 1.7549
Maximum atom distance is 3.4737Å 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 125.913
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.322 C1 C2 H6 109.704
C1 C2 H7 109.704 C2 C1 H4 115.130
S3 C1 H4 118.957 H5 C2 H6 109.609
H5 C2 H7 109.609 H6 C2 H7 106.787

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