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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

B97D3/TZVP


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 -0.4633 0.9349 -0.4999   -0.5016 -0.4614 0.9349
S2 0.4633 -0.9349 -0.4999   -0.4981 0.4652 -0.9349
C3 0.4633 1.8474 0.8061   0.8078 0.4603 1.8474
C4 -0.4633 -1.8474 0.8061   0.8043 -0.4664 -1.8474
H5 0.0568 2.8645 0.8120   0.8122 0.0537 2.8645
H6 0.3089 1.3911 1.7867   1.7878 0.3022 1.3911
H7 1.5274 1.8788 0.5626   0.5684 1.5252 1.8788
H8 -0.0568 -2.8645 0.8120   0.8117 -0.0598 -2.8645
H9 -0.3089 -1.3911 1.7867   1.7855 -0.3157 -1.3911
H10 -1.5274 -1.8788 0.5626   0.5568 -1.5295 -1.8788
Atom - Atom Distances (Å)
  S1 S2 C3 C4 H5 H6 H7 H8 H9 H10
S1 2.0867 1.8430 3.0734 2.3906 2.4562 2.4460 4.0399 3.2653 3.1902
S2 2.0867 3.0734 1.8430 4.0399 3.2653 3.1902 2.3906 2.4562 2.4460
C3 1.8430 3.0734 3.8091 1.0954 1.0925 1.0920 4.7404 3.4706 4.2316
C4 3.0734 1.8430 3.8091 4.7404 3.4706 4.2316 1.0954 1.0925 1.0920
H5 2.3906 4.0399 1.0954 4.7404 1.7845 1.7879 5.7301 4.3810 5.0070
H6 2.4562 3.2653 1.0925 3.4706 1.7845 1.7946 4.3810 2.8499 3.9449
H7 2.4460 3.1902 1.0920 4.2316 1.7879 1.7946 5.0070 3.9449 4.8426
H8 4.0399 2.3906 4.7404 1.0954 5.7301 4.3810 5.0070 1.7845 1.7879
H9 3.2653 2.4562 3.4706 1.0925 4.3810 2.8499 3.9449 1.7845 1.7946
H10 3.1902 2.4460 4.2316 1.0920 5.0070 3.9449 4.8426 1.7879 1.7946
Maximum atom distance is 5.7301Å 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 102.729 S2 S1 C3 102.729
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 106.077 S1 C3 H6 110.987
S1 C3 H7 110.256 S2 C4 H8 106.077
S2 C4 H9 110.987 S2 C4 H10 110.256
H5 C3 H6 109.301 H5 C3 H7 109.642
H6 C3 H7 110.475 H8 C4 H9 109.301
H8 C4 H10 109.642 H9 C4 H10 110.475

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