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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

mPW1PW91/cc-pV(T+d)Z


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6165 0.0000   -0.3496 0.5078 0.0000
C2 -1.4809 0.7050 0.0000   -1.6196 -0.2592 0.0000
S3 0.8717 -0.7355 0.0000   1.1351 -0.1115 0.0000
H4 0.5160 1.5779 0.0000   -0.4698 1.5922 0.0000
H5 -1.9423 -0.2788 0.0000   -1.4417 -1.3311 0.0000
H6 -1.8176 1.2704 0.8740   -2.2176 0.0157 0.8740
H7 -1.8176 1.2704 -0.8740   -2.2176 0.0157 -0.8740
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4836 1.6087 1.0911 2.1387 2.1202 2.1202
C2 1.4836 2.7586 2.1794 1.0866 1.0941 1.0941
S3 1.6087 2.7586 2.3406 2.8508 3.4670 3.4670
H4 1.0911 2.1794 2.3406 3.0807 2.5108 2.5108
H5 2.1387 1.0866 2.8508 3.0807 1.7832 1.7832
H6 2.1202 1.0941 3.4670 2.5108 1.7832 1.7480
H7 2.1202 1.0941 3.4670 2.5108 1.7832 1.7480
Maximum atom distance is 3.4670Å 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 126.231
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.706 C1 C2 H6 109.755
C1 C2 H7 109.755 C2 C1 H4 114.802
S3 C1 H4 118.967 H5 C2 H6 109.712
H5 C2 H7 109.712 H6 C2 H7 106.042

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