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Geometry for CH2NH (Methanimine) 1A' CS

1910171554
InChI=1S/CH3N/c1-2/h2H,1H2 INChIKey=WDWDWGRYHDPSDS-UHFFFAOYSA-N

PBEPBEultrafine/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0565 0.5875 0.0000   0.5815 0.1007 0.0000
N2 0.0565 -0.6927 0.0000   -0.6950 0.0041 0.0000
H3 -0.8437 1.2471 0.0000   1.3072 -0.7471 0.0000
H4 1.0350 1.1129 0.0000   1.0316 1.1160 0.0000
H5 -0.9260 -1.0358 0.0000   -0.9630 -1.0016 0.0000
Atom - Atom Distances (Å)
  C1 N2 H3 H4 H5
C1 1.2802 1.1159 1.1106 1.8975
N2 1.2802 2.1385 2.0537 1.0407
H3 1.1159 2.1385 1.8834 2.2844
H4 1.1106 2.0537 1.8834 2.9091
H5 1.8975 1.0407 2.2844 2.9091
Maximum atom distance is 2.9091Å between atoms H4 and H5.
picture of Methanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 H5 109.249 N2 C1 H3 126.231
N2 C1 H4 118.237 H3 C1 H4 115.533

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