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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8634 0.4169 0.0042   0.8878 -0.3619 0.0042
O2 1.3718 -0.6591 0.0002   1.3278 0.7438 0.0002
N3 -0.4584 0.6444 -0.0251   -0.4171 -0.6718 -0.0251
C4 -1.4307 -0.4257 0.0060   -1.4545 0.3352 0.0060
H5 1.4528 1.3345 0.0237   1.5335 -1.2408 0.0238
H6 -0.7667 1.5790 0.0718   -0.6662 -1.6240 0.0718
H7 -2.3835 -0.0445 -0.3319   -2.3816 -0.1050 -0.3319
H8 -1.1165 -1.2199 -0.6526   -1.1907 1.1475 -0.6526
H9 -1.5481 -0.8343 1.0024   -1.5974 0.7357 1.0023
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.1900 1.3415 2.4439 1.0907 2.0031 3.2967 2.6514 2.8944
O2 1.1900 2.2471 2.8122 1.9953 3.0964 3.8198 2.6329 3.0921
N3 1.3415 2.2471 1.4461 2.0325 0.9890 2.0676 2.0742 2.1047
C4 2.4439 2.8122 1.4461 3.3782 2.1128 1.0805 1.0785 1.0833
H5 1.0907 1.9953 2.0325 3.3782 2.2334 4.0921 3.6855 3.8297
H6 2.0031 3.0964 0.9890 2.1128 2.2334 2.3266 2.9122 2.7020
H7 3.2967 3.8198 2.0676 1.0805 4.0921 2.3266 1.7578 1.7613
H8 2.6514 2.6329 2.0742 1.0785 3.6855 2.9122 1.7578 1.7532
H9 2.8944 3.0921 2.1047 1.0833 3.8297 2.7020 1.7613 1.7532
Maximum atom distance is 4.0921Å 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 122.444 O2 C1 N3 125.042
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 117.730 O2 C1 H5 121.995
N3 C1 H5 112.961 N3 C4 H7 108.974
N3 C4 H8 109.625 N3 C4 H9 111.831
C4 N3 H6 119.182 H7 C4 H8 109.008
H7 C4 H9 108.972 H8 C4 H9 108.386

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