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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

PBEPBE/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.1194 0.4191 0.0023   -0.1060 0.4227 0.0001
N2 -1.1499 -0.1727 0.0139   1.1436 -0.2091 0.0273
N3 1.1639 -0.3284 -0.0111   -1.1736 -0.2913 -0.0237
H4 0.1536 1.4900 -0.0142   -0.1060 1.4941 -0.0188
H5 -1.9038 0.4829 -0.0476   1.9186 0.4222 -0.0269
H6 -1.0905 -1.1747 -0.0176   1.0527 -1.2087 -0.0030
H7 2.0264 0.1949 0.0461   -2.0196 0.2592 0.0227
Atom - Atom Distances (Å)
  C1 N2 N3 H4 H5 H6 H7
C1 1.4005 1.2845 1.0716 2.0248 2.0010 1.9207
N2 1.4005 2.3192 2.1129 1.0010 1.0042 3.1977
N3 1.2845 2.3192 2.0802 3.1734 2.4080 1.0104
H4 1.0716 2.1129 2.0802 2.2909 2.9408 2.2779
H5 2.0248 1.0010 3.1734 2.2909 1.8466 3.9419
H6 2.0010 1.0042 2.4080 2.9408 1.8466 3.4051
H7 1.9207 3.1977 1.0104 2.2779 3.9419 3.4051
Maximum atom distance is 3.9419Å 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 119.420
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 113.910 C1 N2 H6 111.574
C1 N3 H7 113.094 N2 C1 H4 116.831
N3 C1 H4 123.738 H5 N2 H6 134.119

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