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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

wB97X-D/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.6149 -1.6726 0.0376   0.6570 -1.6565 0.0421
N2 -0.8603 -0.7004 -0.0717   0.8776 -0.6787 -0.0709
S3 1.7568 -0.3566 0.0146   -1.7472 -0.4007 0.0188
C4 0.1738 0.1860 -0.0205   -0.1785 0.1815 -0.0208
H5 -1.1599 1.7206 -0.0334   1.1161 1.7492 -0.0411
H6 0.5402 2.1726 -0.0066   -0.5949 2.1582 -0.0129
N7 -0.1828 1.4779 -0.0000   0.1455 1.4820 -0.0052
H8 -2.5934 -0.5747 0.9079   2.6086 -0.5061 0.9053
H9 -2.7280 -0.6378 -0.7381   2.7420 -0.5712 -0.7406
N10 -2.1848 -0.2659 0.0321   2.1909 -0.2106 0.0292
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0087 2.7125 2.0199 3.4375 4.0152 3.1802 2.4243 2.4774 2.1079
N2 1.0087 2.6410 1.3630 2.4398 3.1968 2.2823 1.9948 1.9840 1.3978
S3 2.7125 2.6410 1.6738 3.5811 2.8066 2.6698 4.4464 4.5562 3.9427
C4 2.0199 1.3630 1.6738 2.0332 2.0201 1.3403 3.0163 3.1006 2.4021
H5 3.4375 2.4398 3.5811 2.0332 1.7594 1.0074 2.8652 2.9184 2.2362
H6 4.0152 3.1968 2.8066 2.0201 1.7594 1.0027 4.2666 4.3720 3.6570
N7 3.1802 2.2823 2.6698 1.3403 1.0074 1.0027 3.2937 3.3909 2.6551
H8 2.4243 1.9948 4.4464 3.0163 2.8652 4.2666 3.2937 1.6527 1.0146
H9 2.4774 1.9840 4.5562 3.1006 2.9184 4.3720 3.3909 1.6527 1.0131
N10 2.1079 1.3978 3.9427 2.4021 2.2362 3.6570 2.6551 1.0146 1.0131
Maximum atom distance is 4.5562Å 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 120.497 N2 C4 N7 115.185
S3 C4 N7 124.318 C4 N2 N10 120.928
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 115.993 H1 N2 N10 121.469
N2 N10 H8 110.555 N2 N10 H9 109.724
C4 N7 H5 119.328 C4 N7 H6 118.411
H5 N7 H6 122.160 H8 N10 H9 109.178

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