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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/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.1210 0.4066 -0.0016   0.1341 0.4025 -0.0000
N2 1.1415 -0.1552 -0.0213   -1.1454 -0.1181 -0.0404
N3 -1.1873 -0.3328 0.0069   1.1756 -0.3712 0.0274
H4 -0.0900 1.5020 -0.0070   0.1389 1.4982 -0.0073
H5 1.9729 0.4032 0.0948   -1.9600 0.4672 0.0608
H6 1.2106 -1.1640 0.0260   -1.2481 -1.1240 0.0069
H7 -2.0470 0.2353 -0.0033   2.0533 0.1687 0.0311
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.3820 1.2977 1.0958 2.0960 2.0593 1.9336
N2 1.3820 2.3358 2.0647 1.0082 1.0122 3.2123
N3 1.2977 2.3358 2.1380 3.2460 2.5380 1.0304
H4 1.0958 2.0647 2.1380 2.3395 2.9665 2.3311
H5 2.0960 1.0082 3.2460 2.3395 1.7440 4.0245
H6 2.0593 1.0122 2.5380 2.9665 1.7440 3.5455
H7 1.9336 3.2123 1.0304 2.3311 4.0245 3.5455
Maximum atom distance is 4.0245Å 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 121.272
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 121.768 C1 N2 H6 117.832
C1 N3 H7 111.796 N2 C1 H4 112.364
N3 C1 H4 126.359 H5 N2 H6 119.358

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