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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

B3LYP/CEP-121G


Point group is C2
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 1.1270 -0.5031   -0.4508 -0.2235 1.1270
S2 0.0000 -1.1270 -0.5031   -0.4508 -0.2235 -1.1270
C3 1.3233 1.4984 0.8161   1.3191 -0.8229 1.4984
C4 -1.3233 -1.4984 0.8161   0.1433 1.5481 -1.4984
H5 1.4316 2.5885 0.8235   1.3738 -0.9167 2.5885
H6 0.9940 1.1492 1.7977   2.0521 -0.0918 1.1492
H7 2.2668 1.0280 0.5322   1.4838 -1.7943 1.0280
H8 -1.4316 -2.5885 0.8235   0.1017 1.6485 -2.5885
H9 -0.9940 -1.1492 1.7977   1.1689 1.6892 -1.1492
H10 -2.2668 -1.0280 0.5322   -0.5303 2.2672 -1.0280
Atom - Atom Distances (Å)
  S1 S2 C3 C4 H5 H6 H7 H8 H9 H10
S1 2.2541 1.9051 3.2225 2.4383 2.5065 2.4940 4.1970 3.3857 3.2945
S2 2.2541 3.2225 1.9051 4.1970 3.3857 3.2945 2.4383 2.5065 2.4940
C3 1.9051 3.2225 3.9982 1.0954 1.0926 1.0918 4.9287 3.6529 4.3991
C4 3.2225 1.9051 3.9982 4.9287 3.6529 4.3991 1.0954 1.0926 1.0918
H5 2.4383 4.1970 1.0954 4.9287 1.7922 1.7937 5.9160 4.5610 5.1809
H6 2.5065 3.3857 1.0926 3.6529 1.7922 1.7989 4.5610 3.0389 4.1200
H7 2.4940 3.2945 1.0918 4.3991 1.7937 1.7989 5.1809 4.1200 4.9779
H8 4.1970 2.4383 4.9287 1.0954 5.9160 4.5610 5.1809 1.7922 1.7937
H9 3.3857 2.5065 3.6529 1.0926 4.5610 3.0389 4.1200 1.7922 1.7989
H10 3.2945 2.4940 4.3991 1.0918 5.1809 4.1200 4.9779 1.7937 1.7989
Maximum atom distance is 5.9160Å 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 101.242 S2 S1 C3 101.242
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C3 H5 105.507 S1 C3 H6 110.515
S1 C3 H7 109.640 S2 C4 H8 105.507
S2 C4 H9 110.515 S2 C4 H10 109.640
H5 C3 H6 109.985 H5 C3 H7 110.186
H6 C3 H7 110.876 H8 C4 H9 109.985
H8 C4 H10 110.186 H9 C4 H10 110.876

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