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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

MP2=FULL/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8616 0.4378 0.0042   -0.8896 0.3770 0.0237
O2 1.3694 -0.6716 -0.0002   -1.3201 -0.7639 -0.0185
N3 -0.4759 0.6619 -0.0228   0.4292 0.6935 -0.0010
C4 -1.4128 -0.4458 0.0056   1.4401 -0.3474 -0.0166
H5 1.4507 1.3711 0.0208   -1.5412 1.2663 0.0765
H6 -0.8088 1.6069 0.0646   0.6970 1.6555 0.1191
H7 -2.4124 -0.0666 -0.2070   2.4098 0.1071 -0.2197
H8 -1.1341 -1.1776 -0.7538   1.2072 -1.0690 -0.8007
H9 -1.4120 -0.9461 0.9779   1.4802 -0.8809 0.9371
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2201 1.3564 2.4400 1.1038 2.0398 3.3194 2.6771 2.8342
O2 1.2201 2.2769 2.7914 2.0444 3.1529 3.8356 2.6631 2.9612
N3 1.3564 2.2769 1.4510 2.0534 1.0058 2.0772 2.0860 2.1127
C4 2.4400 2.7914 1.4510 3.3913 2.1406 1.0900 1.0908 1.0935
H5 1.1038 2.0444 2.0534 3.3913 2.2722 4.1282 3.7117 3.8053
H6 2.0398 3.1529 1.0058 2.1406 2.2722 2.3337 2.9205 2.7778
H7 3.3194 3.8356 2.0772 1.0900 4.1282 2.3337 1.7797 1.7828
H8 2.6771 2.6631 2.0860 1.0908 3.7117 2.9205 1.7797 1.7691
H9 2.8342 2.9612 2.1127 1.0935 3.8053 2.7778 1.7828 1.7691
Maximum atom distance is 4.1282Å 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 120.674 O2 C1 N3 124.098
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.677 O2 C1 H5 123.143
N3 C1 H5 112.757 N3 C4 H7 108.829
N3 C4 H8 109.482 N3 C4 H9 111.479
C4 N3 H6 120.124 H7 C4 H8 109.383
H7 C4 H9 109.468 H8 C4 H9 108.174

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