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Geometry for C4H6OS (Vinyl sulfoxide) 1A' CS

1910171554
InChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2 INChIKey=HQSMEHLVLOGBCK-UHFFFAOYSA-N

LSDA/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.5992 -0.4955 0.0000   0.4734 -0.1461 0.5992
O2 1.2337 0.8711 0.0000   -0.8324 0.2569 1.2337
C3 -0.6086 -0.5180 1.3193   0.1060 -1.4134 -0.6086
C4 -0.6086 -0.5180 -1.3193   0.8840 1.1079 -0.6086
C5 -0.6086 0.5153 2.1519   -1.1268 -1.9043 -0.6086
C6 -0.6086 0.5153 -2.1519   0.1421 2.2081 -0.6086
H7 -1.2276 -1.4202 1.3978   0.9449 -1.7544 -1.2276
H8 -1.2276 -1.4202 -1.3978   1.7692 0.9169 -1.2276
H9 -1.2821 0.5704 3.0125   -1.4333 -2.7103 -1.2821
H10 -1.2821 0.5704 -3.0125   0.3432 3.0467 -1.2821
H11 0.0849 1.3453 1.9535   -1.8615 -1.4700 0.0849
H12 0.0849 1.3453 -1.9535   -0.7095 2.2633 0.0849
Atom - Atom Distances (Å)
  S1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12
S1 1.5067 1.7888 1.7888 2.6666 2.6666 2.4791 2.4791 3.7081 3.7081 2.7330 2.7330
O2 1.5067 2.6579 2.6579 2.8550 2.8550 3.6417 3.6417 3.9363 3.9363 2.3153 2.3153
C3 1.7888 2.6579 2.6386 1.3269 3.6217 1.0969 2.9291 2.1225 4.5169 2.0869 3.8294
C4 1.7888 2.6579 2.6386 3.6217 1.3269 2.9291 1.0969 4.5169 2.1225 3.8294 2.0869
C5 2.6666 2.8550 1.3269 3.6217 4.3037 2.1674 4.0901 1.0942 5.2083 1.0997 4.2454
C6 2.6666 2.8550 3.6217 1.3269 4.3037 4.0901 2.1674 5.2083 1.0942 4.2454 1.0997
H7 2.4791 3.6417 1.0969 2.9291 2.1674 4.0901 2.7955 2.5637 4.8390 3.1112 4.5389
H8 2.4791 3.6417 2.9291 1.0969 4.0901 2.1674 2.7955 4.8390 2.5637 4.5389 3.1112
H9 3.7081 3.9363 2.1225 4.5169 1.0942 5.2083 2.5637 4.8390 6.0249 1.8949 5.2086
H10 3.7081 3.9363 4.5169 2.1225 5.2083 1.0942 4.8390 2.5637 6.0249 5.2086 1.8949
H11 2.7330 2.3153 2.0869 3.8294 1.0997 4.2454 3.1112 4.5389 1.8949 5.2086 3.9070
H12 2.7330 2.3153 3.8294 2.0869 4.2454 1.0997 4.5389 3.1112 5.2086 1.8949 3.9070
Maximum atom distance is 6.0249Å between atoms H9 and H10.
picture of Vinyl sulfoxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 C5 116.932 S1 C4 C6 116.932
O2 S1 C3 107.202 O2 S1 C4 107.202
C3 S1 C4 95.042
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H7 116.367 S1 C4 H8 116.367
C3 C5 H9 122.192 C3 C5 H11 118.331
C4 C6 H10 122.192 C4 C6 H12 118.331
C5 C3 H7 126.553 C6 C4 H8 126.553
H9 C5 H11 119.471 H10 C6 H12 119.471

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