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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

CCD/aug-cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8631 0.4314 -0.0002   -0.8892 0.3747 0.0025
O2 1.3671 -0.6697 -0.0000   -1.3210 -0.7566 -0.0026
N3 -0.4685 0.6576 0.0010   0.4251 0.6865 0.0041
C4 -1.4179 -0.4393 -0.0002   1.4433 -0.3468 -0.0033
H5 1.4564 1.3571 -0.0007   -1.5410 1.2602 0.0070
H6 -0.7935 1.6045 -0.0031   0.6882 1.6524 0.0045
H7 -2.4257 -0.0318 0.0078   2.4227 0.1249 0.0063
H8 -1.2882 -1.0594 -0.8866   1.3532 -0.9695 -0.8927
H9 -1.2778 -1.0682 0.8781   1.3449 -0.9879 0.8719
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2110 1.3507 2.4415 1.0995 2.0300 3.3213 2.7634 2.7575
O2 1.2110 2.2653 2.7945 2.0288 3.1370 3.8462 2.8264 2.8152
N3 1.3507 2.2653 1.4507 2.0481 1.0011 2.0751 2.0995 2.0982
C4 2.4415 2.7945 1.4507 3.3895 2.1371 1.0872 1.0894 1.0893
H5 1.0995 2.0288 2.0481 3.3895 2.2635 4.1232 3.7626 3.7591
H6 2.0300 3.1370 1.0011 2.1371 2.2635 2.3112 2.8498 2.8556
H7 3.3213 3.8462 2.0751 1.0872 4.1232 2.3112 1.7748 1.7746
H8 2.7634 2.8264 2.0995 1.0894 3.7626 2.8498 1.7748 1.7647
H9 2.7575 2.8152 2.0982 1.0893 3.7591 2.8556 1.7746 1.7647
Maximum atom distance is 4.1232Å 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 121.231 O2 C1 N3 124.236
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.586 O2 C1 H5 122.750
N3 C1 H5 113.014 N3 C4 H7 108.858
N3 C4 H8 110.684 N3 C4 H9 110.591
C4 N3 H6 120.182 H7 C4 H8 109.250
H7 C4 H9 109.246 H8 C4 H9 108.187

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