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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

CBS-Q


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8634 0.4203 0.0018   -0.8884 0.3643 0.0044
O2 1.3553 -0.6657 0.0007   -1.3100 -0.7508 -0.0020
N3 -0.4567 0.6542 -0.0214   0.4141 0.6821 -0.0183
C4 -1.4194 -0.4296 0.0051   1.4439 -0.3382 0.0023
H5 1.4680 1.3272 0.0229   -1.5497 1.2307 0.0304
H6 -0.7705 1.5898 0.0627   0.6676 1.6354 0.0704
H7 -2.4045 -0.0267 -0.2005   2.4012 0.1278 -0.2018
H8 -1.1696 -1.1612 -0.7534   1.2407 -1.0804 -0.7599
H9 -1.4323 -0.9268 0.9710   1.4893 -0.8384 0.9656
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.1922 1.3409 2.4358 1.0903 2.0103 3.3045 2.6841 2.8326
O2 1.1922 2.2419 2.7846 1.9962 3.1000 3.8190 2.6812 2.9631
N3 1.3409 2.2419 1.4498 2.0395 0.9904 2.0711 2.0832 2.1062
C4 2.4358 2.7846 1.4498 3.3799 2.1219 1.0840 1.0830 1.0864
H5 1.0903 1.9962 2.0395 3.3799 2.2543 4.1085 3.7084 3.7936
H6 2.0103 3.1000 0.9904 2.1219 2.2543 2.3135 2.8972 2.7561
H7 3.3045 3.8190 2.0711 1.0840 4.1085 2.3135 1.7658 1.7685
H8 2.6841 2.6812 2.0832 1.0830 3.7084 2.8972 1.7658 1.7600
H9 2.8326 2.9631 2.1062 1.0864 3.7936 2.7561 1.7685 1.7600
Maximum atom distance is 4.1085Å 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 121.530 O2 C1 N3 124.410
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.375 O2 C1 H5 121.933
N3 C1 H5 113.656 N3 C4 H7 108.788
N3 C4 H8 109.815 N3 C4 H9 111.486
C4 N3 H6 119.622 H7 C4 H8 109.136
H7 C4 H9 109.143 H8 C4 H9 108.440

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