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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

B3LYPultrafine/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8675 0.4369 0.0028   -0.8939 0.3800 0.0051
O2 1.3868 -0.6726 0.0004   -1.3405 -0.7608 -0.0017
N3 -0.4728 0.6564 -0.0191   0.4294 0.6856 -0.0166
C4 -1.4344 -0.4408 0.0043   1.4599 -0.3473 0.0018
H5 1.4604 1.3693 0.0165   -1.5458 1.2721 0.0230
H6 -0.8000 1.6084 0.0574   0.6945 1.6565 0.0637
H7 -2.4299 -0.0463 -0.2079   2.4277 0.1116 -0.2094
H8 -1.1697 -1.1792 -0.7560   1.2428 -1.0980 -0.7616
H9 -1.4445 -0.9429 0.9779   1.5031 -0.8517 0.9732
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2251 1.3584 2.4636 1.1050 2.0387 3.3393 2.7089 2.8636
O2 1.2251 2.2858 2.8307 2.0433 3.1605 3.8734 2.7138 3.0074
N3 1.3584 2.2858 1.4591 2.0608 1.0096 2.0880 2.0972 2.1204
C4 2.4636 2.8307 1.4591 3.4141 2.1458 1.0917 1.0924 1.0954
H5 1.1050 2.0433 2.0608 3.4141 2.2734 4.1459 3.7429 3.8352
H6 2.0387 3.1605 1.0096 2.1458 2.2734 2.3377 2.9273 2.7878
H7 3.3393 3.8734 2.0880 1.0917 4.1459 2.3377 1.7810 1.7836
H8 2.7089 2.7138 2.0972 1.0924 3.7429 2.9273 1.7810 1.7714
H9 2.8636 3.0074 2.1204 1.0954 3.8352 2.7878 1.7836 1.7714
Maximum atom distance is 4.1459Å 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 121.904 O2 C1 N3 124.372
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.097 O2 C1 H5 122.469
N3 C1 H5 113.158 N3 C4 H7 109.029
N3 C4 H8 109.720 N3 C4 H9 111.407
C4 N3 H6 119.621 H7 C4 H8 109.260
H7 C4 H9 109.273 H8 C4 H9 108.122

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