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Geometry for CH3SSCH3 (Disulfide, dimethyl) 1A C2

1910171554
InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 INChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N

QCISD/6-31G*


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.0334 -0.5026   -0.4563 -0.2106 1.0334
S2 0.0000 -1.0334 -0.5026   -0.4563 -0.2106 -1.0334
C3 1.2073 1.4138 0.8069   1.2385 -0.7581 1.4138
C4 -1.2073 -1.4138 0.8069   0.2267 1.4343 -1.4138
H5 1.2972 2.5054 0.8450   1.3109 -0.8237 2.5054
H6 0.8654 1.0536 1.7819   1.9805 -0.0391 1.0536
H7 2.1831 0.9799 0.5728   1.4349 -1.7421 0.9799
H8 -1.2972 -2.5054 0.8450   0.2237 1.5319 -2.5054
H9 -0.8654 -1.0536 1.7819   1.2552 1.5324 -1.0536
H10 -2.1831 -0.9799 0.5728   -0.3947 2.2222 -0.9799
Atom - Atom Distances (Å)
  S1 S2 C3 C4 H5 H6 H7 H8 H9 H10
S1 2.0667 1.8212 3.0267 2.3803 2.4429 2.4341 4.0027 3.2129 3.1584
S2 2.0667 3.0267 1.8212 4.0027 3.2129 3.1584 2.3803 2.4429 2.4341
C3 1.8212 3.0267 3.7183 1.0960 1.0942 1.0932 4.6512 3.3667 4.1568
C4 3.0267 1.8212 3.7183 4.6512 3.3667 4.1568 1.0960 1.0942 1.0932
H5 2.3803 4.0027 1.0960 4.6512 1.7809 1.7849 5.6426 4.2686 4.9329
H6 2.4429 3.2129 1.0942 3.3667 1.7809 1.7898 4.2686 2.7269 3.8588
H7 2.4341 3.1584 1.0932 4.1568 1.7849 1.7898 4.9329 3.8588 4.7858
H8 4.0027 2.3803 4.6512 1.0960 5.6426 4.2686 4.9329 1.7809 1.7849
H9 3.2129 2.4429 3.3667 1.0942 4.2686 2.7269 3.8588 1.7809 1.7898
H10 3.1584 2.4341 4.1568 1.0932 4.9329 3.8588 4.7858 1.7849 1.7898
Maximum atom distance is 5.6426Å between atoms H5 and H8.
picture of Disulfide, dimethyl
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 S2 C4 102.058 S2 S1 C3 102.058
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 106.708 S1 C3 H6 111.393
S1 C3 H7 110.784 S2 C4 H8 106.708
S2 C4 H9 111.393 S2 C4 H10 110.784
H5 C3 H6 108.813 H5 C3 H7 109.239
H6 C3 H7 109.817 H8 C4 H9 108.813
H8 C4 H10 109.239 H9 C4 H10 109.817

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