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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

MP2=FULL/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1207 0.3936 -0.0021   0.1339 0.3893 -0.0002
N2 1.1319 -0.1476 -0.0689   -1.1347 -0.1096 -0.0906
N3 -1.1668 -0.3332 0.0144   1.1544 -0.3722 0.0372
H4 -0.1165 1.4794 -0.0085   0.1664 1.4746 -0.0077
H5 1.8935 0.3999 0.2807   -1.8841 0.4638 0.2438
H6 1.1798 -1.1337 0.1177   -1.2193 -1.0931 0.0961
H7 -1.9879 0.2583 0.0045   1.9951 0.1913 0.0425
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3662 1.2738 1.0858 2.0341 2.0095 1.8721
N2 1.3662 2.3076 2.0516 1.0011 1.0047 3.1470
N3 1.2738 2.3076 2.0950 3.1581 2.4815 1.0121
H4 1.0858 2.0516 2.0950 2.2998 2.9196 2.2346
H5 2.0341 1.0011 3.1581 2.2998 1.6994 3.8939
H6 2.0095 1.0047 2.4815 2.9196 1.6994 3.4619
H7 1.8721 3.1470 1.0121 2.2346 3.8939 3.4619
Maximum atom distance is 3.8939Å 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 121.836
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 117.635 C1 N2 H6 115.052
C1 N3 H7 109.432 N2 C1 H4 113.097
N3 C1 H4 125.018 H5 N2 H6 115.824

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