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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

B3PW91/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8619 0.4331 0.0039   -0.8882 0.3762 0.0061
O2 1.3726 -0.6691 -0.0002   -1.3263 -0.7569 -0.0023
N3 -0.4692 0.6541 -0.0197   0.4257 0.6833 -0.0172
C4 -1.4210 -0.4382 0.0047   1.4465 -0.3449 0.0021
H5 1.4522 1.3647 0.0176   -1.5378 1.2673 0.0241
H6 -0.7959 1.6009 0.0560   0.6902 1.6490 0.0623
H7 -2.4138 -0.0495 -0.2145   2.4117 0.1083 -0.2159
H8 -1.1493 -1.1767 -0.7483   1.2227 -1.0964 -0.7538
H9 -1.4351 -0.9347 0.9771   1.4935 -0.8436 0.9724
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2149 1.3495 2.4435 1.1029 2.0284 3.3182 2.6836 2.8450
O2 1.2149 2.2680 2.8032 2.0354 3.1398 3.8428 2.6791 2.9848
N3 1.3495 2.2680 1.4490 2.0489 1.0044 2.0771 2.0845 2.1097
C4 2.4435 2.8032 1.4490 3.3920 2.1333 1.0884 1.0891 1.0920
H5 1.1029 2.0354 2.0489 3.3920 2.2607 4.1230 3.7165 3.8136
H6 2.0284 3.1398 1.0044 2.1333 2.2607 2.3269 2.9132 2.7724
H7 3.3182 3.8428 2.0771 1.0884 4.1230 2.3269 1.7760 1.7780
H8 2.6836 2.6791 2.0845 1.0891 3.7165 2.9132 1.7760 1.7655
H9 2.8450 2.9848 2.1097 1.0920 3.8136 2.7724 1.7780 1.7655
Maximum atom distance is 4.1230Å 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 121.614 O2 C1 N3 124.278
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.283 O2 C1 H5 122.776
N3 C1 H5 112.943 N3 C4 H7 109.063
N3 C4 H8 109.610 N3 C4 H9 111.482
C4 N3 H6 119.712 H7 C4 H8 109.301
H7 C4 H9 109.266 H8 C4 H9 108.089

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