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Geometry for CH5N3S (Hydrazinecarbothioamide) 1A C1

1910171554
InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) INChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N

HSEh1PBE/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 0.7566 -1.3955 -0.7447   0.7580 -1.3994 -0.7359
N2 0.8935 -0.7514 0.0340   0.8943 -0.7502 0.0385
S3 -1.7322 -0.3939 0.0481   -1.7318 -0.3955 0.0511
C4 -0.1425 0.1615 -0.0231   -0.1427 0.1611 -0.0241
H5 0.6903 1.8814 0.6040   0.6884 1.8861 0.5917
H6 -0.7756 1.9948 -0.1363   -0.7779 1.9930 -0.1489
N7 0.1178 1.5075 -0.1526   0.1161 1.5066 -0.1623
H8 2.8463 -1.0400 0.1678   2.8475 -1.0357 0.1736
H9 2.3720 0.4169 0.6887   2.3717 0.4240 0.6854
N10 2.2288 -0.2595 -0.0542   2.2291 -0.2574 -0.0531
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0197 2.7975 1.9373 3.5442 3.7698 3.0308 2.3077 2.8194 1.9836
N2 1.0197 2.6500 1.3819 2.7015 3.2181 2.3957 1.9785 1.9949 1.4258
S3 2.7975 2.6500 1.6855 3.3697 2.5797 2.6606 4.6254 4.2323 3.9647
C4 1.9373 1.3819 1.6855 2.0112 1.9429 1.3771 3.2268 2.6257 2.4086
H5 3.5442 2.7015 3.3697 2.0112 1.6461 1.0198 3.6569 2.2316 2.7173
H6 3.7698 3.2181 2.5797 1.9429 1.6461 1.0178 4.7350 3.6163 3.7570
N7 3.0308 2.3957 2.6606 1.3771 1.0198 1.0178 3.7466 2.6417 2.7547
H8 2.3077 1.9785 4.6254 3.2268 3.6569 4.7350 3.7466 1.6183 1.0196
H9 2.8194 1.9949 4.2323 2.6257 2.2316 3.6163 2.6417 1.6183 1.0149
N10 1.9836 1.4258 3.9647 2.4086 2.7173 3.7570 2.7547 1.0196 1.0149
Maximum atom distance is 4.7350Å between atoms H6 and H8.
picture of Hydrazinecarbothioamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 S3 119.186 N2 C4 N7 120.522
S3 C4 N7 120.288 C4 N2 N10 118.141
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 106.562 H1 N2 N10 107.240
N2 N10 H8 106.835 N2 N10 H9 108.470
C4 N7 H5 113.250 C4 N7 H6 107.488
H5 N7 H6 107.780 H8 N10 H9 105.395

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