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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

MP2/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0101 -0.9979 -0.0002   -0.0052 -0.9978 -0.0152
C2 1.0680 0.3639 0.3876   -1.0721 0.3645 -0.3756
C3 -1.5577 -0.1844 -0.0307   1.5588 -0.1771 0.0187
C4 2.2353 0.5627 -0.2275   -2.2367 0.5479 0.2493
C5 -1.7804 1.1296 -0.1250   1.7756 1.1364 0.1320
H6 0.7577 0.9687 1.2325   -0.7698 0.9838 -1.2129
H7 -2.3816 -0.8830 0.0540   2.3856 -0.8701 -0.0817
H8 2.9070 1.3395 0.1123   -2.9141 1.3265 -0.0745
H9 2.5390 -0.0380 -1.0739   -2.5324 -0.0673 1.0881
H10 -0.9793 1.8462 -0.2388   0.9716 1.8472 0.2615
H11 -2.7948 1.5030 -0.1096   2.7880 1.5150 0.1163
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7675 1.7665 2.7274 2.7835 2.4384 2.3951 3.7240 2.9103 3.0207 3.7595
C2 1.7675 2.7148 1.3344 2.9938 1.0844 3.6832 2.0998 2.1122 2.6041 4.0579
C3 1.7665 2.7148 3.8709 1.3361 2.8786 1.0835 4.7198 4.2300 2.1216 2.0938
C4 2.7274 1.3344 3.8709 4.0569 2.1166 4.8462 1.0817 1.0814 3.4614 5.1186
C5 2.7835 2.9938 1.3361 4.0569 2.8829 2.1080 4.6981 4.5740 1.0809 1.0810
H6 2.4384 1.0844 2.8786 2.1166 2.8829 3.8305 2.4519 3.0832 2.4397 3.8350
H7 2.3951 3.6832 1.0835 4.8462 2.1080 3.8305 5.7369 5.1185 3.0823 2.4269
H8 3.7240 2.0998 4.7198 1.0817 4.6981 2.4519 5.7369 1.8547 3.9349 5.7085
H9 2.9103 2.1122 4.2300 1.0814 4.5740 3.0832 5.1185 1.8547 4.0775 5.6351
H10 3.0207 2.6041 2.1216 3.4614 1.0809 2.4397 3.0823 3.9349 4.0775 1.8522
H11 3.7595 4.0579 2.0938 5.1186 1.0810 3.8350 2.4269 5.7085 5.6351 1.8522
Maximum atom distance is 5.7369Å between atoms H7 and H8.
picture of Divinyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 122.497 S1 C3 C5 127.017
C2 S1 C3 100.381
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 115.427 S1 C3 H7 112.125
C2 C4 H8 120.356 C2 C4 H9 121.582
C3 C5 H10 122.407 C3 C5 H11 119.676
C4 C2 H6 121.763 C5 C3 H7 120.852
H8 C4 H9 118.062 H10 C5 H11 117.905

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