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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

B3LYP/3-21G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8655 0.4461 0.0012   -0.8923 0.3897 0.0035
O2 1.3819 -0.6794 0.0008   -1.3356 -0.7665 -0.0014
N3 -0.4799 0.6739 -0.0127   0.4358 0.7033 -0.0101
C4 -1.4200 -0.4551 0.0027   1.4462 -0.3632 0.0001
H5 1.4409 1.3879 0.0113   -1.5269 1.2927 0.0178
H6 -0.8311 1.6239 0.0472   0.7254 1.6736 0.0536
H7 -2.4224 -0.0920 -0.2333   2.4231 0.0643 -0.2348
H8 -1.1172 -1.1934 -0.7449   1.1908 -1.1163 -0.7504
H9 -1.4393 -0.9551 0.9785   1.4983 -0.8649 0.9738
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2382 1.3647 2.4567 1.1038 2.0659 3.3399 2.6788 2.8689
O2 1.2382 2.3017 2.8109 2.0681 3.1944 3.8565 2.6582 2.9985
N3 1.3647 2.3017 1.4692 2.0494 1.0145 2.0996 2.1046 2.1346
C4 2.4567 2.8109 1.4692 3.4032 2.1612 1.0919 1.0935 1.0966
H5 1.1038 2.0681 2.0494 3.4032 2.2845 4.1443 3.7120 3.8368
H6 2.0659 3.1944 1.0145 2.1612 2.2845 2.3569 2.9405 2.8086
H7 3.3399 3.8565 2.0996 1.0919 4.1443 2.3569 1.7828 1.7832
H8 2.6788 2.6582 2.1046 1.0935 3.7120 2.9405 1.7828 1.7694
H9 2.8689 2.9985 2.1346 1.0966 3.8368 2.8086 1.7832 1.7694
Maximum atom distance is 4.1443Å 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 120.158 O2 C1 N3 124.260
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 119.803 O2 C1 H5 123.928
N3 C1 H5 111.812 N3 C4 H7 109.247
N3 C4 H8 109.544 N3 C4 H9 111.776
C4 N3 H6 119.828 H7 C4 H8 109.324
H7 C4 H9 109.133 H8 C4 H9 107.778

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