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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/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8599 0.4366 0.0128   -0.8865 0.3796 0.0154
O2 1.3782 -0.6681 -0.0017   -1.3317 -0.7565 -0.0042
N3 -0.4787 0.6601 -0.0583   0.4347 0.6901 -0.0554
C4 -1.4174 -0.4449 0.0140   1.4434 -0.3516 0.0111
H5 1.4428 1.3702 0.0519   -1.5290 1.2730 0.0592
H6 -0.8026 1.5912 0.1446   0.6973 1.6394 0.1518
H7 -2.4050 -0.0880 -0.2682   2.4054 0.0702 -0.2699
H8 -1.1051 -1.2203 -0.6811   1.1817 -1.1424 -0.6876
H9 -1.4587 -0.8790 1.0146   1.5137 -0.7869 1.0096
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2204 1.3590 2.4419 1.1013 2.0283 3.3187 2.6623 2.8478
O2 1.2204 2.2837 2.8045 2.0400 3.1435 3.8367 2.6330 3.0208
N3 1.3590 2.2837 1.4516 2.0515 1.0065 2.0771 2.0775 2.1167
C4 2.4419 2.8045 1.4516 3.3878 2.1309 1.0873 1.0872 1.0916
H5 1.1013 2.0400 2.0515 3.3878 2.2582 4.1273 3.7067 3.7953
H6 2.0283 3.1435 1.0065 2.1309 2.2582 2.3575 2.9457 2.6999
H7 3.3187 3.8367 2.0771 1.0873 4.1273 2.3575 1.7727 1.7796
H8 2.6623 2.6330 2.0775 1.0872 3.7067 2.9457 1.7727 1.7655
H9 2.8478 3.0208 2.1167 1.0916 3.7953 2.6999 1.7796 1.7655
Maximum atom distance is 4.1273Å 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 120.610 O2 C1 N3 124.510
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 117.290 O2 C1 H5 122.886
N3 C1 H5 112.574 N3 C4 H7 108.939
N3 C4 H8 108.982 N3 C4 H9 111.891
C4 N3 H6 119.081 H7 C4 H8 109.218
H7 C4 H9 109.516 H8 C4 H9 108.258

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