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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

TPSSh/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8657 0.4359 0.0050   -0.8919 0.3793 0.0072
O2 1.3777 -0.6719 -0.0006   -1.3317 -0.7590 -0.0025
N3 -0.4732 0.6596 -0.0202   0.4298 0.6887 -0.0178
C4 -1.4252 -0.4431 0.0048   1.4507 -0.3507 0.0023
H5 1.4576 1.3684 0.0166   -1.5424 1.2719 0.0227
H6 -0.8063 1.6086 0.0561   0.7013 1.6568 0.0620
H7 -2.4199 -0.0575 -0.2192   2.4185 0.0989 -0.2207
H8 -1.1455 -1.1816 -0.7472   1.2184 -1.1027 -0.7525
H9 -1.4386 -0.9363 0.9811   1.4965 -0.8458 0.9766
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2204 1.3577 2.4537 1.1046 2.0429 3.3300 2.6883 2.8540
O2 1.2204 2.2801 2.8122 2.0419 3.1581 3.8532 2.6802 2.9942
N3 1.3577 2.2801 1.4570 2.0570 1.0087 2.0842 2.0906 2.1169
C4 2.4537 2.8122 1.4570 3.4047 2.1437 1.0902 1.0905 1.0938
H5 1.1046 2.0419 2.0570 3.4047 2.2769 4.1381 3.7231 3.8248
H6 2.0429 3.1581 1.0087 2.1437 2.2769 2.3357 2.9233 2.7806
H7 3.3300 3.8532 2.0842 1.0902 4.1381 2.3357 1.7795 1.7821
H8 2.6883 2.6802 2.0906 1.0905 3.7231 2.9233 1.7795 1.7701
H9 2.8540 2.9942 2.1169 1.0938 3.8248 2.7806 1.7821 1.7701
Maximum atom distance is 4.1381Å 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 121.284 O2 C1 N3 124.281
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.641 O2 C1 H5 122.791
N3 C1 H5 112.922 N3 C4 H7 108.962
N3 C4 H8 109.459 N3 C4 H9 111.379
C4 N3 H6 119.670 H7 C4 H8 109.385
H7 C4 H9 109.371 H8 C4 H9 108.260

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