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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

HSEh1PBE/cc-pVTZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8597 0.4330 0.0039   -0.8863 0.3757 0.0062
O2 1.3655 -0.6692 -0.0002   -1.3187 -0.7573 -0.0023
N3 -0.4682 0.6548 -0.0199   0.4243 0.6842 -0.0174
C4 -1.4146 -0.4381 0.0047   1.4403 -0.3444 0.0022
H5 1.4522 1.3626 0.0180   -1.5383 1.2644 0.0245
H6 -0.7952 1.6004 0.0565   0.6886 1.6488 0.0628
H7 -2.4084 -0.0527 -0.2142   2.4065 0.1062 -0.2156
H8 -1.1396 -1.1752 -0.7483   1.2136 -1.0948 -0.7538
H9 -1.4259 -0.9347 0.9769   1.4848 -0.8433 0.9722
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2127 1.3466 2.4355 1.1024 2.0259 3.3112 2.6738 2.8357
O2 1.2127 2.2619 2.7897 2.0337 3.1341 3.8300 2.6629 2.9693
N3 1.3466 2.2619 1.4459 2.0470 1.0034 2.0743 2.0809 2.1065
C4 2.4355 2.7897 1.4459 3.3854 2.1311 1.0882 1.0890 1.0917
H5 1.1024 2.0337 2.0470 3.3854 2.2602 4.1184 3.7074 3.8053
H6 2.0259 3.1341 1.0034 2.1311 2.2602 2.3256 2.9103 2.7698
H7 3.3112 3.8300 2.0743 1.0882 4.1184 2.3256 1.7763 1.7782
H8 2.6738 2.6629 2.0809 1.0890 3.7074 2.9103 1.7763 1.7652
H9 2.8357 2.9693 2.1065 1.0917 3.8053 2.7698 1.7782 1.7652
Maximum atom distance is 4.1184Å 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 121.375 O2 C1 N3 124.124
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.375 O2 C1 H5 122.841
N3 C1 H5 113.033 N3 C4 H7 109.064
N3 C4 H8 109.543 N3 C4 H9 111.453
C4 N3 H6 119.850 H7 C4 H8 109.348
H7 C4 H9 109.319 H8 C4 H9 108.085

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