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Geometry for CH3NC (methyl isocyanide) 1A1 C3V

1910171554
InChI=1S/C2H3N/c1-3-2/h1H3 INChIKey=ZRKSVHFXTRFQFL-UHFFFAOYSA-N

CCD/6-31G(2df,p)


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1084   0.0000 1.1084 -0.0000
N2 0.0000 0.0000 0.3123   0.0000 -0.3123 0.0000
C3 0.0000 0.0000 1.4819   0.0000 -1.4819 0.0000
H4 0.0000 1.0260 -1.4756   1.0260 1.4756 -0.0000
H5 0.8885 -0.5130 -1.4756   -0.5130 1.4756 -0.8885
H6 -0.8885 -0.5130 -1.4756   -0.5130 1.4756 0.8885
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.4206 2.5902 1.0897 1.0897 1.0897
N2 1.4206 1.1696 2.0613 2.0613 2.0613
C3 2.5902 1.1696 3.1303 3.1303 3.1303
H4 1.0897 2.0613 3.1303 1.7770 1.7770
H5 1.0897 2.0613 3.1303 1.7770 1.7770
H6 1.0897 2.0613 3.1303 1.7770 1.7770
Maximum atom distance is 3.1303Å between atoms C3 and H5.
picture of methyl isocyanide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N2 C3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N2 C1 H4 109.692 N2 C1 H5 109.692
N2 C1 H6 109.692 H4 C1 H5 109.250
H4 C1 H6 109.250 H5 C1 H6 109.250

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