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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

BLYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.6914 -0.6738 0.0000   0.6337 -0.2291 0.6914
O2 1.1256 0.9405 0.0000   -0.8844 0.3198 1.1256
C3 -0.6430 -0.5644 1.4638   0.0330 -1.5685 -0.6430
C4 -0.6430 -0.5644 -1.4638   1.0285 1.1847 -0.6430
C5 -0.6430 0.6817 1.9163   -1.2927 -1.5704 -0.6430
C6 -0.6430 0.6817 -1.9163   0.0105 2.0340 -0.6430
H7 -1.1772 -1.4887 1.7427   0.8074 -2.1450 -1.1772
H8 -1.1772 -1.4887 -1.7427   1.9925 1.1327 -1.1772
H9 -1.2478 1.1093 2.7327   -1.9724 -2.1927 -1.2478
H10 -1.2478 1.1093 -2.7327   -0.1141 2.9471 -1.2478
H11 0.1068 1.3039 1.2833   -1.6626 -0.7635 0.1068
H12 0.1068 1.3039 -1.2833   -0.7899 1.6502 0.1068
Atom - Atom Distances (Å)
  S1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12
S1 1.6717 1.9838 1.9838 2.7001 2.7001 2.6819 2.6819 3.7958 3.7958 2.4290 2.4290
O2 1.6717 2.7451 2.7451 2.6206 2.6206 3.7737 3.7737 3.6234 3.6234 1.6784 1.6784
C3 1.9838 2.7451 2.9276 1.3258 3.6025 1.1034 3.3795 2.1857 4.5583 2.0212 3.4058
C4 1.9838 2.7451 2.9276 3.6025 1.3258 3.3795 1.1034 4.5583 2.1857 3.4058 2.0212
C5 2.7001 2.6206 1.3258 3.6025 3.8327 2.2419 4.2877 1.1023 4.7077 1.1619 3.3447
C6 2.7001 2.6206 3.6025 1.3258 3.8327 4.2877 2.2419 4.7077 1.1023 3.3447 1.1619
H7 2.6819 3.7737 1.1034 3.3795 2.2419 4.2877 3.4853 2.7812 5.1753 3.1078 4.3132
H8 2.6819 3.7737 3.3795 1.1034 4.2877 2.2419 3.4853 5.1753 2.7812 4.3132 3.1078
H9 3.7958 3.6234 2.1857 4.5583 1.1023 4.7077 2.7812 5.1753 5.4655 1.9934 4.2428
H10 3.7958 3.6234 4.5583 2.1857 4.7077 1.1023 5.1753 2.7812 5.4655 4.2428 1.9934
H11 2.4290 1.6784 2.0212 3.4058 1.1619 3.3447 3.1078 4.3132 1.9934 4.2428 2.5666
H12 2.4290 1.6784 3.4058 2.0212 3.3447 1.1619 4.3132 3.1078 4.2428 1.9934 2.5666
Maximum atom distance is 5.4655Å 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 107.681 S1 C4 C6 107.681
O2 S1 C3 96.975 O2 S1 C4 96.975
C3 S1 C4 95.102
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H7 117.772 S1 C4 H8 117.772
C3 C5 H9 128.128 C3 C5 H11 108.502
C4 C6 H10 128.128 C4 C6 H12 108.502
C5 C3 H7 134.516 C6 C4 H8 134.516
H9 C5 H11 123.356 H10 C6 H12 123.356

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