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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

B3LYP/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.6092 -0.5198 0.0000   0.5026 -0.1324 0.6092
O2 1.2770 0.8568 0.0000   -0.8285 0.2183 1.2770
C3 -0.6246 -0.4949 1.3612   0.1317 -1.4424 -0.6246
C4 -0.6246 -0.4949 -1.3612   0.8254 1.1902 -0.6246
C5 -0.6246 0.5272 2.1951   -1.0691 -1.9883 -0.6246
C6 -0.6246 0.5272 -2.1951   0.0496 2.2570 -0.6246
H7 -1.2455 -1.3792 1.4356   0.9679 -1.7396 -1.2455
H8 -1.2455 -1.3792 -1.4356   1.6995 1.0367 -1.2455
H9 -1.3034 0.5655 3.0374   -1.3208 -2.7930 -1.3034
H10 -1.3034 0.5655 -3.0374   0.2271 3.0812 -1.3034
H11 0.0624 1.3511 2.0344   -1.8249 -1.6230 0.0624
H12 0.0624 1.3511 -2.0344   -0.7881 2.3116 0.0624
Atom - Atom Distances (Å)
  S1 O2 C3 C4 C5 C6 H7 H8 H9 H10 H11 H12
S1 1.5300 1.8373 1.8373 2.7270 2.7270 2.4979 2.4979 3.7498 3.7498 2.8175 2.8175
O2 1.5300 2.7011 2.7011 2.9229 2.9229 3.6639 3.6639 3.9961 3.9961 2.4204 2.4204
C3 1.8373 2.7011 2.7225 1.3191 3.7003 1.0831 2.9983 2.0963 4.5752 2.0816 3.9256
C4 1.8373 2.7011 2.7225 3.7003 1.3191 2.9983 1.0831 4.5752 2.0963 3.9256 2.0816
C5 2.7270 2.9229 1.3191 3.7003 4.3902 2.1440 4.1475 1.0824 5.2764 1.0848 4.3635
C6 2.7270 2.9229 3.7003 1.3191 4.3902 4.1475 2.1440 5.2764 1.0824 4.3635 1.0848
H7 2.4979 3.6639 1.0831 2.9983 2.1440 4.1475 2.8711 2.5201 4.8777 3.0861 4.6050
H8 2.4979 3.6639 2.9983 1.0831 4.1475 2.1440 2.8711 4.8777 2.5201 4.6050 3.0861
H9 3.7498 3.9961 2.0963 4.5752 1.0824 5.2764 2.5201 4.8777 6.0747 1.8677 5.3109
H10 3.7498 3.9961 4.5752 2.0963 5.2764 1.0824 4.8777 2.5201 6.0747 5.3109 1.8677
H11 2.8175 2.4204 2.0816 3.9256 1.0848 4.3635 3.0861 4.6050 1.8677 5.3109 4.0689
H12 2.8175 2.4204 3.9256 2.0816 4.3635 1.0848 4.6050 3.0861 5.3109 1.8677 4.0689
Maximum atom distance is 6.0747Å 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 118.611 S1 C4 C6 118.611
O2 S1 C3 106.315 O2 S1 C4 106.315
C3 S1 C4 95.614
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H7 115.135 S1 C4 H8 115.135
C3 C5 H9 121.289 C3 C5 H11 119.663
C4 C6 H10 121.289 C4 C6 H12 119.663
C5 C3 H7 126.104 C6 C4 H8 126.104
H9 C5 H11 119.047 H10 C6 H12 119.047

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