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Geometry for CH3CHN (methylmethaniminyl radical) 2A' CS

1910171554
InChI=1S/C2H4N/c1-2-3/h2H,1H3 INChIKey=IBGMUOPBPGVUMD-UHFFFAOYSA-N

HF/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4907 0.0000   -0.2601 -0.4161 0.0000
C2 -0.8701 -0.7371 0.0000   1.1285 0.1638 0.0000
N3 1.2843 0.4505 0.0000   -1.3278 0.2988 0.0000
H4 -0.4807 1.4585 0.0000   -0.3656 -1.4916 0.0000
H5 -0.2703 -1.6368 0.0000   1.0968 1.2446 0.0000
H6 -1.5094 -0.7487 0.8756   1.6767 -0.1653 0.8756
H7 -1.5094 -0.7487 -0.8756   1.6767 -0.1653 -0.8756
Atom - Atom Distances (Å)
  C1 C2 N3 H4 H5 H6 H7
C1 1.5048 1.2849 1.0806 2.1446 2.1403 2.1403
C2 1.5048 2.4600 2.2299 1.0813 1.0842 1.0842
N3 1.2849 2.4600 2.0325 2.6026 3.1637 3.1637
H4 1.0806 2.2299 2.0325 3.1025 2.5878 2.5878
H5 2.1446 1.0813 2.6026 3.1025 1.7580 1.7580
H6 2.1403 1.0842 3.1637 2.5878 1.7580 1.7512
H7 2.1403 1.0842 3.1637 2.5878 1.7580 1.7512
Maximum atom distance is 3.1637Å between atoms N3 and H6.
picture of methylmethaniminyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 N3 123.529
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.987 C1 C2 H6 110.465
C1 C2 H7 110.465 C2 C1 H4 118.266
N3 C1 H4 118.205 H5 C2 H6 108.552
H5 C2 H7 108.552 H6 C2 H7 107.724

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