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Geometry for CH2NCH3 (N-methylmethanimine) 1A' CS

1910171554
InChI=1S/C2H5N/c1-3-2/h1H2,2H3 INChIKey=NYVSDPNXBIEFPW-UHFFFAOYSA-N

TPSSh/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.0744 -0.4116 0.0000   1.1443 0.1199 0.0000
N2 0.0000 0.5499 0.0000   -0.1421 -0.5312 0.0000
C3 1.1894 0.1152 0.0000   -1.1787 0.1961 0.0000
H4 -0.7561 -1.4705 0.0000   1.1104 1.2252 0.0000
H5 -1.7045 -0.2373 0.8796   1.7080 -0.2112 0.8796
H6 -1.7045 -0.2373 -0.8796   1.7080 -0.2112 -0.8796
H7 1.4593 -0.9535 0.0000   -1.1633 1.2982 0.0000
H8 2.0162 0.8279 0.0000   -2.1616 -0.2787 0.0000
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6 H7 H8
C1 1.4418 2.3243 1.1058 1.0960 1.0960 2.5910 3.3298
N2 1.4418 1.2663 2.1572 2.0734 2.0734 2.0952 2.0352
C3 2.3243 1.2663 2.5098 3.0451 3.0451 1.1022 1.0915
H4 1.1058 2.1572 2.5098 1.7872 1.7872 2.2749 3.6011
H5 1.0960 2.0734 3.0451 1.7872 1.7593 3.3610 3.9689
H6 1.0960 2.0734 3.0451 1.7872 1.7593 3.3610 3.9689
H7 2.5910 2.0952 1.1022 2.2749 3.3610 3.3610 1.8664
H8 3.3298 2.0352 1.0915 3.6011 3.9689 3.9689 1.8664
Maximum atom distance is 3.9689Å between atoms H5 and H8.
picture of N-methylmethanimine
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 118.099
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 115.092 N2 C1 H5 108.810
N2 C1 H6 108.810 N2 C3 H7 124.252
N2 C3 H8 119.161 H4 C1 H5 108.528
H4 C1 H6 108.528 H5 C1 H6 106.760
H7 C3 H8 116.586

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