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Geometry for CH3NC (methyl isocyanide) 1A1 C3V

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

HF/aug-cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.1024   0.0000 -1.1024 0.0000
N2 0.0000 0.0000 0.3183   0.0000 0.3183 0.0000
C3 0.0000 0.0000 1.4624   0.0000 1.4624 0.0000
H4 0.0000 1.0175 -1.4627   1.0175 -1.4627 0.0000
H5 0.8812 -0.5088 -1.4627   -0.5088 -1.4627 0.8812
H6 -0.8812 -0.5088 -1.4627   -0.5088 -1.4627 -0.8812
Atom - Atom Distances (Å)
  C1 N2 C3 H4 H5 H6
C1 1.4207 2.5648 1.0794 1.0794 1.0794
N2 1.4207 1.1442 2.0512 2.0512 2.0512
C3 2.5648 1.1442 3.0971 3.0971 3.0971
H4 1.0794 2.0512 3.0971 1.7624 1.7624
H5 1.0794 2.0512 3.0971 1.7624 1.7624
H6 1.0794 2.0512 3.0971 1.7624 1.7624
Maximum atom distance is 3.0971Å between atoms C3 and H4.
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 109.500 N2 C1 H5 109.500
N2 C1 H6 109.500 H4 C1 H5 109.443
H4 C1 H6 109.443 H5 C1 H6 109.443

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