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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

HF/aug-cc-pVTZ


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.4528 0.9189 -0.4886   -0.6387 0.1893 0.9189
S2 0.4528 -0.9189 -0.4886   -0.2373 -0.6225 -0.9189
C3 0.4528 1.8346 0.7871   0.9062 -0.0570 1.8346
C4 -0.4528 -1.8346 0.7871   0.5048 0.7548 -1.8346
H5 0.0388 2.8344 0.7913   0.7265 0.3160 2.8344
H6 0.3127 1.3891 1.7600   1.7162 0.4999 1.3891
H7 1.5029 1.8800 0.5444   1.1542 -1.1058 1.8800
H8 -0.0388 -2.8344 0.7913   0.6921 0.3855 -2.8344
H9 -0.3127 -1.3891 1.7600   1.4390 1.0605 -1.3891
H10 -1.5029 -1.8800 0.5444   -0.1782 1.5885 -1.8800
Atom - Atom Distances (Å)
  S1 S2 C3 C4 H5 H6 H7 H8 H9 H10
S1 2.0489 1.8128 3.0347 2.3556 2.4214 2.4116 3.9871 3.2254 3.1629
S2 2.0489 3.0347 1.8128 3.9871 3.2254 3.1629 2.3556 2.4214 2.4116
C3 1.8128 3.0347 3.7794 1.0821 1.0792 1.0787 4.6949 3.4533 4.2051
C4 3.0347 1.8128 3.7794 4.6949 3.4533 4.2051 1.0821 1.0792 1.0787
H5 2.3556 3.9871 1.0821 4.6949 1.7614 1.7650 5.6694 4.3475 4.9663
H6 2.4214 3.2254 1.0792 3.4533 1.7614 1.7706 4.3475 2.8478 3.9321
H7 2.4116 3.1629 1.0787 4.2051 1.7650 1.7706 4.9663 3.9321 4.8138
H8 3.9871 2.3556 4.6949 1.0821 5.6694 4.3475 4.9663 1.7614 1.7650
H9 3.2254 2.4214 3.4533 1.0792 4.3475 2.8478 3.9321 1.7614 1.7706
H10 3.1629 2.4116 4.2051 1.0787 4.9663 3.9321 4.8138 1.7650 1.7706
Maximum atom distance is 5.6694Å 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 103.432 S2 S1 C3 103.432
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 106.158 S1 C3 H6 111.162
S1 C3 H7 110.444 S2 C4 H8 106.158
S2 C4 H9 111.162 S2 C4 H10 110.444
H5 C3 H6 109.162 H5 C3 H7 109.536
H6 C3 H7 110.279 H8 C4 H9 109.162
H8 C4 H10 109.536 H9 C4 H10 110.279

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