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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

wB97X-D/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8652 0.4344 0.0037   -0.8913 0.3779 0.0060
O2 1.3673 -0.6733 -0.0001   -1.3212 -0.7597 -0.0024
N3 -0.4703 0.6588 -0.0212   0.4270 0.6877 -0.0185
C4 -1.4179 -0.4396 0.0050   1.4432 -0.3476 0.0024
H5 1.4624 1.3730 0.0205   -1.5476 1.2761 0.0272
H6 -0.8017 1.6100 0.0592   0.6967 1.6579 0.0659
H7 -2.4210 -0.0527 -0.2149   2.4192 0.1039 -0.2163
H8 -1.1409 -1.1840 -0.7543   1.2140 -1.1050 -0.7601
H9 -1.4289 -0.9403 0.9862   1.4871 -0.8508 0.9813
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2161 1.3544 2.4446 1.1127 2.0405 3.3293 2.6866 2.8491
O2 1.2161 2.2697 2.7950 2.0486 3.1498 3.8448 2.6685 2.9770
N3 1.3544 2.2697 1.4508 2.0609 1.0105 2.0854 2.0936 2.1191
C4 2.4446 2.7950 1.4508 3.4032 2.1409 1.0974 1.0988 1.1016
H5 1.1127 2.0486 2.0609 3.4032 2.2768 4.1436 3.7304 3.8267
H6 2.0405 3.1498 1.0105 2.1409 2.2768 2.3371 2.9297 2.7851
H7 3.3293 3.8448 2.0854 1.0974 4.1436 2.3371 1.7915 1.7930
H8 2.6866 2.6685 2.0936 1.0988 3.7304 2.9297 1.7915 1.7809
H9 2.8491 2.9770 2.1191 1.1016 3.8267 2.7851 1.7930 1.7809
Maximum atom distance is 4.1436Å 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 121.211 O2 C1 N3 123.916
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.547 O2 C1 H5 123.142
N3 C1 H5 112.941 N3 C4 H7 109.057
N3 C4 H8 109.621 N3 C4 H9 111.511
C4 N3 H6 119.803 H7 C4 H8 109.314
H7 C4 H9 109.245 H8 C4 H9 108.064

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