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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

mPW1PW91/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.6105 -1.6763 0.0005   0.6079 -1.6771 0.0192
N2 -0.8579 -0.6996 -0.0013   0.8568 -0.7009 0.0070
S3 1.7559 -0.3540 0.0003   -1.7565 -0.3512 0.0027
C4 0.1716 0.1863 -0.0003   -0.1713 0.1865 -0.0024
H5 -1.1651 1.7176 -0.0002   1.1678 1.7157 -0.0180
H6 0.5300 2.1728 0.0006   -0.5266 2.1735 -0.0235
N7 -0.1880 1.4749 -0.0002   0.1902 1.4745 -0.0161
H8 -2.6585 -0.6011 0.8272   2.6570 -0.5961 0.8358
H9 -2.6608 -0.6014 -0.8244   2.6605 -0.6145 -0.8157
N10 -2.1769 -0.2704 0.0006   2.1765 -0.2738 0.0053
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0076 2.7108 2.0201 3.4389 4.0145 3.1794 2.4564 2.4575 2.1048
N2 1.0076 2.6365 1.3581 2.4366 3.1901 2.2753 1.9846 1.9844 1.3871
S3 2.7108 2.6365 1.6740 3.5811 2.8085 2.6690 4.4980 4.4999 3.9338
C4 2.0201 1.3581 1.6740 2.0327 2.0186 1.3379 3.0519 3.0532 2.3925
H5 3.4389 2.4366 3.5811 2.0327 1.7551 1.0068 2.8795 2.8800 2.2307
H6 4.0145 3.1901 2.8085 2.0186 1.7551 1.0012 4.3063 4.3079 3.6465
N7 3.1794 2.2753 2.6690 1.3379 1.0068 1.0012 3.3314 3.3325 2.6462
H8 2.4564 1.9846 4.4980 3.0519 2.8795 4.3063 3.3314 1.6516 1.0122
H9 2.4575 1.9844 4.4999 3.0532 2.8800 4.3079 3.3325 1.6516 1.0121
N10 2.1048 1.3871 3.9338 2.3925 2.2307 3.6465 2.6462 1.0122 1.0121
Maximum atom distance is 4.4999Å 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 120.459 N2 C4 N7 115.125
S3 C4 N7 124.416 C4 N2 N10 121.265
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 116.502 H1 N2 N10 122.232
N2 N10 H8 110.642 N2 N10 H9 110.628
C4 N7 H5 119.537 C4 N7 H6 118.603
H5 N7 H6 121.861 H8 N10 H9 109.354

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