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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

CCD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6255 0.0000   0.3515 -0.5174 0.0000
C2 -1.5050 0.7011 0.0000   1.6389 0.2659 0.0000
S3 0.8862 -0.7366 0.0000   -1.1470 0.1112 0.0000
H4 0.5113 1.6050 0.0000   0.4791 -1.6149 0.0000
H5 -1.9567 -0.3032 0.0000   1.4480 1.3505 0.0000
H6 -1.8521 1.2624 0.8886   2.2414 -0.0033 0.8886
H7 -1.8521 1.2624 -0.8886   2.2414 -0.0033 -0.8886
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.5069 1.6250 1.1049 2.1659 2.1507 2.1507
C2 1.5069 2.7902 2.2096 1.1013 1.1068 1.1068
S3 1.6250 2.7902 2.3714 2.8758 3.5049 3.5049
H4 1.1049 2.2096 2.3714 3.1197 2.5481 2.5481
H5 2.1659 1.1013 2.8758 3.1197 1.8033 1.8033
H6 2.1507 1.1068 3.5049 2.5481 1.8033 1.7771
H7 2.1507 1.1068 3.5049 2.5481 1.8033 1.7771
Maximum atom distance is 3.5049Å 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 125.927
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.339 C1 C2 H6 109.798
C1 C2 H7 109.798 C2 C1 H4 114.688
S3 C1 H4 119.385 H5 C2 H6 109.501
H5 C2 H7 109.501 H6 C2 H7 106.796

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