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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/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8633 0.4346 0.0080   -0.8894 0.3780 0.0149
O2 1.3828 -0.6681 -0.0005   -1.3369 -0.7557 -0.0073
N3 -0.4765 0.6577 -0.0373   0.4331 0.6874 -0.0294
C4 -1.4254 -0.4426 0.0089   1.4509 -0.3499 0.0011
H5 1.4538 1.3699 0.0318   -1.5389 1.2729 0.0518
H6 -0.8083 1.6014 0.1023   0.7037 1.6486 0.1220
H7 -2.3853 -0.1057 -0.3925   2.3863 0.0532 -0.3972
H8 -1.0433 -1.2592 -0.6076   1.1209 -1.1815 -0.6254
H9 -1.5715 -0.8175 1.0299   1.6231 -0.7279 1.0169
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2189 1.3589 2.4510 1.1064 2.0407 3.3175 2.6236 2.9223
O2 1.2189 2.2838 2.8173 2.0394 3.1562 3.8300 2.5699 3.1324
N3 1.3589 2.2838 1.4537 2.0587 1.0100 2.0863 2.0787 2.1246
C4 2.4510 2.8173 1.4537 3.4023 2.1371 1.0936 1.0922 1.0975
H5 1.1064 2.0394 2.0587 3.4023 2.2750 4.1348 3.6820 3.8643
H6 2.0407 3.1562 1.0100 2.1371 2.2750 2.3761 2.9567 2.7007
H7 3.3175 3.8300 2.0863 1.0936 4.1348 2.3761 1.7826 1.7867
H8 2.6236 2.5699 2.0787 1.0922 3.6820 2.9567 1.7826 1.7763
H9 2.9223 3.1324 2.1246 1.0975 3.8643 2.7007 1.7867 1.7763
Maximum atom distance is 4.1348Å 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 121.217 O2 C1 N3 124.641
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.205 O2 C1 H5 122.505
N3 C1 H5 112.841 N3 C4 H7 109.158
N3 C4 H8 108.641 N3 C4 H9 112.026
C4 N3 H6 119.231 H7 C4 H8 109.284
H7 C4 H9 109.260 H8 C4 H9 108.433

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