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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

mPW1PW91/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 -0.6085 -1.6766 0.0233   -0.6495 1.6611 0.0234
N2 -0.8593 -0.6998 -0.0439   -0.8762 0.6784 -0.0439
S3 1.7565 -0.3553 0.0082   1.7472 0.3984 0.0083
C4 0.1728 0.1866 -0.0097   0.1774 -0.1823 -0.0097
H5 -1.1666 1.7215 -0.0321   -1.1239 -1.7497 -0.0322
H6 0.5342 2.1763 -0.0174   0.5875 -2.1625 -0.0175
N7 -0.1871 1.4776 0.0035   -0.1507 -1.4817 0.0034
H8 -2.6189 -0.5865 0.8781   -2.6325 0.5218 0.8781
H9 -2.7010 -0.6310 -0.7734   -2.7157 0.5645 -0.7733
N10 -2.1793 -0.2690 0.0187   -2.1852 0.2153 0.0187
Atom - Atom Distances (Å)
  H1 N2 S3 C4 H5 H6 N7 H8 H9 N10
H1 1.0108 2.7091 2.0207 3.4441 4.0190 3.1823 2.4415 2.4711 2.1092
N2 1.0108 2.6389 1.3609 2.4407 3.1960 2.2792 1.9897 1.9821 1.3899
S3 2.7091 2.6389 1.6739 3.5859 2.8114 2.6715 4.4670 4.5338 3.9367
C4 2.0207 1.3609 1.6739 2.0372 2.0222 1.3402 3.0298 3.0839 2.3960
H5 3.4441 2.4407 3.5859 2.0372 1.7606 1.0100 2.8748 2.9049 2.2339
H6 4.0190 3.1960 2.8114 2.0222 1.7606 1.0044 4.2868 4.3496 3.6529
N7 3.1823 2.2792 2.6715 1.3402 1.0100 1.0044 3.3074 3.3718 2.6494
H8 2.4415 1.9897 4.4670 3.0298 2.8748 4.2868 3.3074 1.6541 1.0162
H9 2.4711 1.9821 4.5338 3.0839 2.9049 4.3496 3.3718 1.6541 1.0152
N10 2.1092 1.3899 3.9367 2.3960 2.2339 3.6529 2.6494 1.0162 1.0152
Maximum atom distance is 4.5338Å 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 120.457 N2 C4 N7 115.083
S3 C4 N7 124.460 C4 N2 N10 121.148
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 N2 C4 116.077 H1 N2 N10 122.153
N2 N10 H8 110.617 N2 N10 H9 110.024
C4 N7 H5 119.519 C4 N7 H6 118.491
H5 N7 H6 121.845 H8 N10 H9 109.032

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