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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

B3PW91/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0221 -0.9670 0.0023   0.0259 -0.9668 -0.0107
C2 1.0837 0.3979 0.3453   1.0842 0.3977 0.3440
C3 -1.5704 -0.2111 -0.0112   -1.5695 -0.2172 -0.0045
C4 2.2920 0.5393 -0.2026   2.2886 0.5511 -0.2093
C5 -1.8609 1.0863 -0.1353   -1.8660 1.0805 -0.1096
H6 0.7172 1.0808 1.1107   0.7197 1.0689 1.1206
H7 -2.3589 -0.9520 0.1049   -2.3544 -0.9628 0.1065
H8 2.9560 1.3346 0.1256   2.9514 1.3447 0.1254
H9 2.6609 -0.1318 -0.9735   2.6554 -0.1082 -0.9912
H10 -1.1002 1.8471 -0.2839   -1.1092 1.8462 -0.2527
H11 -2.8946 1.4179 -0.0973   -2.9007 1.4074 -0.0610
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7629 1.7628 2.7319 2.7894 2.4300 2.3832 3.7309 2.9348 3.0431 3.7689
C2 1.7629 2.7463 1.3342 3.0620 1.0893 3.7056 2.1049 2.1230 2.6955 4.1308
C3 1.7628 2.7463 3.9392 1.3353 2.8567 1.0882 4.7849 4.3400 2.1287 2.1011
C4 2.7319 1.3342 3.9392 4.1894 2.1209 4.8938 1.0867 1.0865 3.6365 5.2616
C5 2.7894 3.0620 1.3353 4.1894 2.8634 2.1120 4.8303 4.7575 1.0860 1.0863
H6 2.4300 1.0893 2.8567 2.1209 2.8634 3.8218 2.4590 3.0971 2.4156 3.8234
H7 2.3832 3.7056 1.0882 4.8938 2.1120 3.8218 5.7859 5.1994 3.0936 2.4382
H8 3.7309 2.1049 4.7849 1.0867 4.8303 2.4590 5.7859 1.8561 4.1089 5.8554
H9 2.9348 2.1230 4.3400 1.0865 4.7575 3.0971 5.1994 1.8561 4.3055 5.8338
H10 3.0431 2.6955 2.1287 3.6365 1.0860 2.4156 3.0936 4.1089 4.3055 1.8544
H11 3.7689 4.1308 2.1011 5.2616 1.0863 3.8234 2.4382 5.8554 5.8338 1.8544
Maximum atom distance is 5.8554Å between atoms H8 and H11.
picture of Divinyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 123.197 S1 C3 C5 127.873
C2 S1 C3 102.330
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 114.800 S1 C3 H7 111.209
C2 C4 H8 120.449 C2 C4 H9 122.234
C3 C5 H10 122.743 C3 C5 H11 120.027
C4 C2 H6 121.795 C5 C3 H7 120.917
H8 C4 H9 117.310 H10 C5 H11 117.228

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