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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

MP2/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.6000 -0.5036 0.0000   0.0000 0.4082 -0.6685
O2 1.2678 0.8325 0.0000   0.0000 1.4670 0.3850
C3 -0.6157 -0.4914 1.3056   1.3056 -0.7402 -0.2696
C4 -0.6157 -0.4914 -1.3056   -1.3056 -0.7402 -0.2696
C5 -0.6157 0.5204 2.1680   2.1680 -0.4178 0.6894
C6 -0.6157 0.5204 -2.1680   -2.1680 -0.4178 0.6894
H7 -1.2594 -1.3595 1.3651   1.3651 -1.6270 -0.8873
H8 -1.2594 -1.3595 -1.3651   -1.3651 -1.6270 -0.8873
H9 -1.3095 0.5522 2.9950   2.9950 -1.0653 0.9407
H10 -1.3095 0.5522 -2.9950   -2.9950 -1.0653 0.9407
H11 0.0862 1.3326 2.0361   2.0361 0.5064 1.2356
H12 0.0862 1.3326 -2.0361   -2.0361 0.5064 1.2356
Atom - Atom Distances (Å)
  S1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12
S1 1.4936 1.7840 1.7840 2.6882 2.6882 2.4604 2.4604 3.7055 3.7055 2.7895 2.7895
O2 1.4936 2.6467 2.6467 2.8888 2.8888 3.6132 3.6132 3.9612 3.9612 2.4067 2.4067
C3 1.7840 2.6467 2.6112 1.3295 3.6179 1.0824 2.8811 2.1035 4.4794 2.0865 3.8713
C4 1.7840 2.6467 2.6112 3.6179 1.3295 2.8811 1.0824 4.4794 2.1035 3.8713 2.0865
C5 2.6882 2.8888 1.3295 3.6179 4.3360 2.1431 4.0536 1.0800 5.2095 1.0816 4.3390
C6 2.6882 2.8888 3.6179 1.3295 4.3360 4.0536 2.1431 5.2095 1.0800 4.3390 1.0816
H7 2.4604 3.6132 1.0824 2.8811 2.1431 4.0536 2.7303 2.5127 4.7610 3.0836 4.5417
H8 2.4604 3.6132 2.8811 1.0824 4.0536 2.1431 2.7303 4.7610 2.5127 4.5417 3.0836
H9 3.7055 3.9612 2.1035 4.4794 1.0800 5.2095 2.5127 4.7610 5.9899 1.8645 5.2791
H10 3.7055 3.9612 4.4794 2.1035 5.2095 1.0800 4.7610 2.5127 5.9899 5.2791 1.8645
H11 2.7895 2.4067 2.0865 3.8713 1.0816 4.3390 3.0836 4.5417 1.8645 5.2791 4.0722
H12 2.7895 2.4067 3.8713 2.0865 4.3390 1.0816 4.5417 3.0836 5.2791 1.8645 4.0722
Maximum atom distance is 5.9899Å 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 118.681 S1 C4 C6 118.681
O2 S1 C3 107.373 O2 S1 C4 107.373
C3 S1 C4 94.083
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H7 116.109 S1 C4 H8 116.109
C3 C5 H9 121.276 C3 C5 H11 119.500
C4 C6 H10 121.276 C4 C6 H12 119.500
C5 C3 H7 125.079 C6 C4 H8 125.079
H9 C5 H11 119.222 H10 C6 H12 119.222

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