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Geometry for NHCHNH2 (aminomethanimine) 1A C1

1910171554
InChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3) INChIKey=PNKUSGQVOMIXLU-UHFFFAOYSA-N

B3LYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4179 0.0000   0.0135 0.4177 -0.0003
N2 -1.0391 -0.4789 0.0000   1.0230 -0.5121 0.0169
N3 1.2238 0.0314 0.0000   -1.2220 0.0708 -0.0196
H4 -0.3579 1.4551 0.0000   0.4045 1.4429 0.0047
H5 -2.0037 -0.1814 0.0000   1.9966 -0.2458 0.0321
H6 -0.8194 -1.4683 0.0000   0.7716 -1.4939 0.0141
H7 1.8878 0.8190 0.0000   -1.8602 0.8794 -0.0307
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3726 1.2834 1.0972 2.0914 2.0565 1.9299
N2 1.3726 2.3198 2.0505 1.0094 1.0135 3.2017
N3 1.2834 2.3198 2.1281 3.2345 2.5346 1.0301
H4 1.0972 2.0505 2.1281 2.3210 2.9596 2.3340
H5 2.0914 1.0094 3.2345 2.3210 1.7489 4.0180
H6 2.0565 1.0135 2.5346 2.9596 1.7489 3.5441
H7 1.9299 3.2017 1.0301 2.3340 4.0180 3.5441
Maximum atom distance is 4.0180Å between atoms H5 and H7.
picture of aminomethanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 N3 121.681
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 122.066 C1 N2 H6 118.276
C1 N3 H7 112.606 N2 C1 H4 111.759
N3 C1 H4 126.560 H5 N2 H6 119.659

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