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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=FULL/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8680 0.4600 0.0007   -0.8964 0.4019 0.0026
O2 1.4079 -0.6826 0.0009   -1.3600 -0.7736 -0.0008
N3 -0.4895 0.6690 -0.0043   0.4445 0.6998 -0.0022
C4 -1.4384 -0.4593 0.0009   1.4655 -0.3638 -0.0012
H5 1.4609 1.3885 -0.0019   -1.5490 1.2895 0.0035
H6 -0.8412 1.6164 0.0304   0.7331 1.6681 0.0356
H7 -2.4310 -0.0844 -0.2685   2.4312 0.0765 -0.2698
H8 -1.1181 -1.2066 -0.7335   1.1945 -1.1280 -0.7381
H9 -1.4852 -0.9407 0.9866   1.5445 -0.8444 0.9828
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2637 1.3735 2.4829 1.1017 2.0639 3.3545 2.6947 2.9107
O2 1.2637 2.3296 2.8551 2.0718 3.2163 3.8946 2.6823 3.0673
N3 1.3735 2.3296 1.4743 2.0789 1.0111 2.0993 2.1083 2.1365
C4 2.4829 2.8551 1.4743 3.4381 2.1601 1.0948 1.0956 1.0980
H5 1.1017 2.0718 2.0789 3.4381 2.3135 4.1699 3.7311 3.8836
H6 2.0639 3.2163 1.0111 2.1601 2.3135 2.3473 2.9376 2.8050
H7 3.3545 3.8946 2.0993 1.0948 4.1699 2.3473 1.7887 1.7897
H8 2.6947 2.6823 2.1083 1.0956 3.7311 2.9376 1.7887 1.7789
H9 2.9107 3.0673 2.1365 1.0980 3.8836 2.8050 1.7897 1.7789
Maximum atom distance is 4.1699Å 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 121.307 O2 C1 N3 124.046
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 119.092 O2 C1 H5 122.149
N3 C1 H5 113.804 N3 C4 H7 108.698
N3 C4 H8 109.358 N3 C4 H9 111.482
C4 N3 H6 119.545 H7 C4 H8 109.492
H7 C4 H9 109.415 H8 C4 H9 108.375

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