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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1257 0.4096 0.0012   0.1130 0.4133 0.0047
N2 -1.1421 -0.1657 0.0143   -1.1366 -0.2010 -0.0020
N3 1.1491 -0.3263 -0.0109   1.1587 -0.2906 0.0032
H4 0.1774 1.4625 -0.0140   0.1322 1.4673 -0.0049
H5 -1.8783 0.4845 -0.0457   -1.8916 0.4265 -0.0690
H6 -1.0974 -1.1509 -0.0193   -1.0608 -1.1841 -0.0395
H7 1.9952 0.1897 0.0482   1.9875 0.2510 0.0762
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3924 1.2606 1.0542 2.0060 1.9828 1.8829
N2 1.3924 2.2970 2.0959 0.9840 0.9868 3.1576
N3 1.2606 2.2970 2.0357 3.1343 2.3930 0.9928
H4 1.0542 2.0959 2.0357 2.2767 2.9077 2.2199
H5 2.0060 0.9840 3.1343 2.2767 1.8124 3.8858
H6 1.9828 0.9868 2.3930 2.9077 1.8124 3.3713
H7 1.8829 3.1576 0.9928 2.2199 3.8858 3.3713
Maximum atom distance is 3.8858Å 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 119.875
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 114.056 C1 N2 H6 111.771
C1 N3 H7 112.822 N2 C1 H4 117.222
N3 C1 H4 122.896 H5 N2 H6 133.754

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