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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

BLYP/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.5934 -1.7312 -0.0008   0.5920 -1.7316 0.0172
N2 -0.8490 -0.7362 -0.0003   0.8484 -0.7369 0.0075
S3 1.7967 -0.3403 0.0001   -1.7969 -0.3388 0.0029
C4 0.1877 0.1888 -0.0001   -0.1876 0.1889 -0.0021
H5 -1.2366 1.6550 0.0005   1.2379 1.6540 -0.0160
H6 0.4727 2.2300 0.0012   -0.4710 2.2302 -0.0218
N7 -0.2220 1.4856 -0.0003   0.2232 1.4853 -0.0155
H8 -2.7139 -0.6068 0.8508   2.7131 -0.6001 0.8581
H9 -2.7141 -0.6049 -0.8507   2.7140 -0.6157 -0.8434
N10 -2.2272 -0.2680 0.0004   2.2270 -0.2697 0.0040
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0273 2.7654 2.0728 3.4468 4.1022 3.2382 2.5468 2.5473 2.1933
N2 1.0273 2.6751 1.3894 2.4225 3.2474 2.3086 2.0540 2.0540 1.4556
S3 2.7654 2.6751 1.6937 3.6307 2.8912 2.7219 4.5978 4.5979 4.0246
C4 2.0728 1.3894 1.6937 2.0441 2.0610 1.3600 3.1267 3.1263 2.4578
H5 3.4468 2.4225 3.6307 2.0441 1.8035 1.0287 2.8321 2.8310 2.1632
H6 4.1022 3.2474 2.8912 2.0610 1.8035 1.0182 4.3501 4.3495 3.6783
N7 3.2382 2.3086 2.7219 1.3600 1.0287 1.0182 3.3633 3.3621 2.6639
H8 2.5468 2.0540 4.5978 3.1267 2.8321 4.3501 3.3633 1.7015 1.0367
H9 2.5473 2.0540 4.5979 3.1263 2.8310 4.3495 3.3621 1.7015 1.0367
N10 2.1933 1.4556 4.0246 2.4578 2.1632 3.6783 2.6639 1.0367 1.0367
Maximum atom distance is 4.5979Å between atoms S3 and H9.
picture of Hydrazinecarbothioamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C4 S3 120.055 N2 C4 N7 114.210
S3 C4 N7 125.735 C4 N2 N10 119.493
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 117.336 H1 N2 N10 123.171
N2 N10 H8 109.861 N2 N10 H9 109.862
C4 N7 H5 117.012 C4 N7 H6 119.442
H5 N7 H6 123.546 H8 N10 H9 110.291

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