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Geometry for CH2CHSCHCH2 (Divinyl sulfide)

1910171554

PBEPBEultrafine/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0285 -0.9633 0.0083   0.0316 -0.9632 -0.0051
C2 1.0864 0.4250 0.3138   1.0868 0.4242 0.3135
C3 -1.5801 -0.2217 -0.0093   -1.5794 -0.2267 -0.0036
C4 2.3226 0.5297 -0.1885   2.3198 0.5399 -0.1941
C5 -1.8950 1.0746 -0.1327   -1.8992 1.0701 -0.1073
H6 0.6844 1.1555 1.0221   0.6865 1.1436 1.0341
H7 -2.3557 -0.9841 0.1008   -2.3520 -0.9930 0.1004
H8 2.9759 1.3455 0.1251   2.9723 1.3533 0.1271
H9 2.7234 -0.1892 -0.9048   2.7189 -0.1679 -0.9225
H10 -1.1463 1.8543 -0.2766   -1.1538 1.8541 -0.2447
H11 -2.9403 1.3841 -0.0996   -2.9452 1.3757 -0.0641
Atom - Atom Distances (Å)
  S1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
S1 1.7720 1.7714 2.7442 2.8058 2.4387 2.3861 3.7458 2.9489 3.0659 3.7862
C2 1.7720 2.7628 1.3384 3.0839 1.0940 3.7255 2.1102 2.1312 2.7159 4.1599
C3 1.7714 2.7628 3.9784 1.3397 2.8440 1.0932 4.8199 4.3958 2.1375 2.1064
C4 2.7442 1.3384 3.9784 4.2530 2.1308 4.9256 1.0912 1.0912 3.7142 5.3325
C5 2.8058 3.0839 1.3397 4.2530 2.8273 2.1225 4.8853 4.8501 1.0905 1.0906
H6 2.4387 1.0940 2.8440 2.1308 2.8273 3.8300 2.4681 3.1111 2.3509 3.8012
H7 2.3861 3.7255 1.0932 4.9256 2.1225 3.8300 5.8184 5.2384 3.1083 2.4474
H8 3.7458 2.1102 4.8199 1.0912 4.8853 2.4681 5.8184 1.8654 4.1729 5.9206
H9 2.9489 2.1312 4.3958 1.0912 4.8501 3.1111 5.2384 1.8654 4.4210 5.9331
H10 3.0659 2.7159 2.1375 3.7142 1.0905 2.3509 3.1083 4.1729 4.4210 1.8630
H11 3.7862 4.1599 2.1064 5.3325 1.0906 3.8012 2.4474 5.9206 5.9331 1.8630
Maximum atom distance is 5.9331Å between atoms H9 and H11.
picture of Divinyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C4 123.233 S1 C3 C5 128.279
C2 S1 C3 102.467
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H6 114.540 S1 C3 H7 110.570
C2 C4 H8 120.243 C2 C4 H9 122.283
C3 C5 H10 122.857 C3 C5 H11 119.808
C4 C2 H6 122.013 C5 C3 H7 121.151
H8 C4 H9 117.468 H10 C5 H11 117.332

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