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Geometry for HCONHCH3 (N-methylformamide) 1A' C1 cis

1910171554
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) INChIKey=ATHHXGZTWNVVOU-UHFFFAOYSA-N

MP2/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8790 0.4673 0.0012   -0.9074 0.4094 0.0046
O2 1.4187 -0.6912 0.0006   -1.3710 -0.7815 -0.0025
N3 -0.4959 0.6767 -0.0055   0.4511 0.7073 -0.0017
C4 -1.4519 -0.4659 0.0010   1.4790 -0.3710 -0.0029
H5 1.4700 1.4017 -0.0008   -1.5575 1.3037 0.0087
H6 -0.8463 1.6291 0.0326   0.7392 1.6802 0.0418
H7 -2.4474 -0.0859 -0.2672   2.4475 0.0741 -0.2695
H8 -1.1270 -1.2136 -0.7359   1.2023 -1.1337 -0.7440
H9 -1.4901 -0.9468 0.9915   1.5494 -0.8543 0.9847
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2780 1.3908 2.5108 1.1056 2.0802 3.3828 2.7189 2.9314
O2 1.2780 2.3530 2.8795 2.0935 3.2426 3.9224 2.7011 3.0836
N3 1.3908 2.3530 1.4898 2.0953 1.0155 2.1115 2.1224 2.1490
C4 2.5108 2.8795 1.4898 3.4677 2.1810 1.0988 1.0989 1.1017
H5 1.1056 2.0935 2.0953 3.4677 2.3276 4.1988 3.7582 3.9067
H6 2.0802 3.2426 1.0155 2.1810 2.3276 2.3653 2.9580 2.8230
H7 3.3828 3.9224 2.1115 1.0988 4.1988 2.3653 1.7986 1.8005
H8 2.7189 2.7011 2.1224 1.0989 3.7582 2.9580 1.7986 1.7852
H9 2.9314 3.0836 2.1490 1.1017 3.9067 2.8230 1.8005 1.7852
Maximum atom distance is 4.1988Å between atoms H5 and H7.
picture of N-methylformamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 C4 121.260 O2 C1 N3 123.637
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.821 O2 C1 H5 122.710
N3 C1 H5 113.651 N3 C4 H7 108.370
N3 C4 H8 109.214 N3 C4 H9 111.158
C4 N3 H6 119.848 H7 C4 H8 109.847
H7 C4 H9 109.812 H8 C4 H9 108.431

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