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Geometry for C2H4N2S2 (Ethanedithioamide) 1AG C2H

1910171554
InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6) INChIKey=OAEGRYMCJYIXQT-UHFFFAOYSA-N

CID/3-21G


Point group is C2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0697 0.7614 0.0000   0.6878 0.3340 0.0000
C2 0.0697 -0.7614 0.0000   -0.6878 -0.3340 0.0000
S3 1.3106 1.7890 0.0000   0.8539 2.0468 0.0000
S4 -1.3106 -1.7890 0.0000   -0.8539 -2.0468 0.0000
N5 -1.3106 1.2040 0.0000   1.7082 -0.4994 0.0000
N6 1.3106 -1.2040 0.0000   -1.7082 0.4994 0.0000
H7 -2.0829 0.5448 0.0000   1.5431 -1.5014 0.0000
H8 -1.4866 2.1976 0.0000   2.6497 -0.1364 0.0000
H9 2.0829 -0.5448 0.0000   -1.5431 1.5014 0.0000
H10 1.4866 -2.1976 0.0000   -2.6497 0.1364 0.0000
Atom - Atom Distances (Å)
  C1 C2 S3 S4 N5 N6 H7 H8 H9 H10
C1 1.5292 1.7208 2.8363 1.3175 2.4017 2.0249 2.0175 2.5179 3.3433
C2 1.5292 2.8363 1.7208 2.4017 1.3175 2.5179 3.3433 2.0249 2.0175
S3 1.7208 2.8363 4.4355 2.6857 2.9931 3.6144 2.8268 2.4583 3.9905
S4 2.8363 1.7208 4.4355 2.9931 2.6857 2.4583 3.9905 3.6144 2.8268
N5 1.3175 2.4017 2.6857 2.9931 3.5594 1.0154 1.0091 3.8176 4.4040
N6 2.4017 1.3175 2.9931 2.6857 3.5594 3.8176 4.4040 1.0154 1.0091
H7 2.0249 2.5179 3.6144 2.4583 1.0154 3.8176 1.7571 4.3060 4.5013
H8 2.0175 3.3433 2.8268 3.9905 1.0091 4.4040 1.7571 4.5013 5.3064
H9 2.5179 2.0249 2.4583 3.6144 3.8176 1.0154 4.3060 4.5013 1.7571
H10 3.3433 2.0175 3.9905 2.8268 4.4040 1.0091 4.5013 5.3064 1.7571
Maximum atom distance is 5.3064Å between atoms H8 and H10.
picture of Ethanedithioamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 S4 121.441 C1 C2 N6 114.857
C2 C1 S3 121.441 C2 C1 N5 114.857
S3 C1 N5 123.702 S4 C2 N6 123.702
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N5 H7 119.888 C1 N5 H8 119.673
C2 N6 H9 119.888 C2 N6 H10 119.673
H7 N5 H8 120.439 H9 N6 H10 120.439

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