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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6175 0.0000   0.3528 -0.5069 0.0000
C2 -1.4929 0.7012 0.0000   1.6259 0.2773 0.0000
S3 0.8786 -0.7323 0.0000   -1.1394 0.0992 0.0000
H4 0.5107 1.5797 0.0000   0.4832 -1.5883 0.0000
H5 -1.9449 -0.2881 0.0000   1.4318 1.3475 0.0000
H6 -1.8326 1.2566 0.8785   2.2220 0.0155 0.8785
H7 -1.8326 1.2566 -0.8785   2.2220 0.0155 -0.8785
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4953 1.6106 1.0893 2.1454 2.1304 2.1304
C2 1.4953 2.7711 2.1878 1.0876 1.0934 1.0934
S3 1.6106 2.7711 2.3411 2.8582 3.4754 3.4754
H4 1.0893 2.1878 2.3411 3.0852 2.5233 2.5233
H5 2.1454 1.0876 2.8582 3.0852 1.7805 1.7805
H6 2.1304 1.0934 3.4754 2.5233 1.7805 1.7569
H7 2.1304 1.0934 3.4754 2.5233 1.7805 1.7569
Maximum atom distance is 3.4754Å 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 126.265
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.350 C1 C2 H6 109.792
C1 C2 H7 109.792 C2 C1 H4 114.751
S3 C1 H4 118.984 H5 C2 H6 109.445
H5 C2 H7 109.445 H6 C2 H7 106.913

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