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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

B2PLYP=FULLultrafine/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0192 -0.9815 0.0105   -0.0141 -0.9814 -0.0207
C2 1.0846 0.3926 0.3593   -1.0890 0.3906 -0.3480
C3 -1.5732 -0.2058 -0.0294   1.5744 -0.1978 0.0168
C4 2.2853 0.5482 -0.2196   -2.2866 0.5338 0.2405
C5 -1.8463 1.1061 -0.1274   1.8413 1.1145 0.1268
H6 0.7310 1.0650 1.1444   -0.7442 1.0730 -1.1282
H7 -2.3750 -0.9436 0.0390   2.3795 -0.9306 -0.0647
H8 2.9528 1.3459 0.1060   -2.9605 1.3313 -0.0722
H9 2.6327 -0.1155 -1.0107   -2.6253 -0.1401 1.0269
H10 -1.0690 1.8622 -0.2250   1.0607 1.8654 0.2375
H11 -2.8819 1.4434 -0.1194   2.8751 1.4573 0.1155
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7734 1.7717 2.7438 2.8031 2.4455 2.3946 3.7460 2.9366 3.0539 3.7833
C2 1.7734 2.7519 1.3421 3.0555 1.0924 3.7224 2.1127 2.1289 2.6719 4.1311
C3 1.7717 2.7519 3.9361 1.3437 2.8813 1.0917 4.7865 4.3198 2.1376 2.1074
C4 2.7438 1.3421 3.9361 4.1701 2.1315 4.9001 1.0898 1.0896 3.6025 5.2452
C5 2.8031 3.0555 1.3437 4.1701 2.8743 2.1233 4.8108 4.7259 1.0888 1.0892
H6 2.4455 1.0924 2.8813 2.1315 2.8743 3.8605 2.4686 3.1072 2.3981 3.8463
H7 2.3946 3.7224 1.0917 4.9001 2.1233 3.8605 5.7993 5.1831 3.1061 2.4454
H8 3.7460 2.1127 4.7865 1.0898 4.8108 2.4686 5.7993 1.8669 4.0683 5.8399
H9 2.9366 2.1289 4.3198 1.0896 4.7259 3.1072 5.1831 1.8669 4.2698 5.7997
H10 3.0539 2.6719 2.1376 3.6025 1.0888 2.3981 3.1061 4.0683 4.2698 1.8637
H11 3.7833 4.1311 2.1074 5.2452 1.0892 3.8463 2.4454 5.8399 5.7997 1.8637
Maximum atom distance is 5.8399Å 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 122.854 S1 C3 C5 127.723
C2 S1 C3 101.836
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 115.075 S1 C3 H7 111.272
C2 C4 H8 120.265 C2 C4 H9 121.858
C3 C5 H10 122.648 C3 C5 H11 119.677
C4 C2 H6 121.884 C5 C3 H7 121.005
H8 C4 H9 117.871 H10 C5 H11 117.674

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