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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.6289 -1.6295 0.0284   -0.6694 1.6133 0.0285
N2 -0.8648 -0.6740 -0.0770   -0.8814 0.6522 -0.0770
S3 1.7326 -0.3778 0.0155   1.7226 0.4209 0.0155
C4 0.1663 0.1928 -0.0209   0.1710 -0.1886 -0.0209
H5 -1.0822 1.7723 -0.0384   -1.0377 -1.7987 -0.0385
H6 0.6022 2.1354 -0.0026   0.6553 -2.1197 -0.0027
N7 -0.1384 1.4837 0.0006   -0.1013 -1.4866 0.0006
H8 -2.5782 -0.5847 0.8943   -2.5920 0.5202 0.8944
H9 -2.7162 -0.6341 -0.7207   -2.7312 0.5661 -0.7207
N10 -2.1847 -0.2626 0.0359   -2.1906 0.2080 0.0359
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 0.9898 2.6727 1.9888 3.4325 3.9612 3.1517 2.3751 2.4308 2.0709
N2 0.9898 2.6158 1.3482 2.4562 3.1702 2.2780 1.9716 1.9605 1.3871
S3 2.6727 2.6158 1.6674 3.5425 2.7558 2.6393 4.4043 4.5166 3.9190
C4 1.9888 1.3482 1.6674 2.0134 1.9910 1.3265 2.9957 3.0793 2.3954
H5 3.4325 2.4562 3.5425 2.0134 1.7235 0.9877 2.9434 2.9876 2.3156
H6 3.9612 3.1702 2.7558 1.9910 1.7235 0.9866 4.2800 4.3815 3.6768
N7 3.1517 2.2780 2.6393 1.3265 0.9877 0.9866 3.3211 3.4132 2.6904
H8 2.3751 1.9716 4.4043 2.9957 2.9434 4.2800 3.3211 1.6217 0.9978
H9 2.4308 1.9605 4.5166 3.0793 2.9876 4.3815 3.4132 1.6217 0.9964
N10 2.0709 1.3871 3.9190 2.3954 2.3156 3.6768 2.6904 0.9978 0.9964
Maximum atom distance is 4.5166Å 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 119.954 N2 C4 N7 116.786
S3 C4 N7 123.260 C4 N2 N10 122.255
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 115.719 H1 N2 N10 120.290
N2 N10 H8 110.458 N2 N10 H9 109.585
C4 N7 H5 120.211 C4 N7 H6 118.059
H5 N7 H6 121.612 H8 N10 H9 108.822

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