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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/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8647 0.4399 0.0045   -0.8909 0.3839 0.0074
O2 1.3764 -0.6746 -0.0003   -1.3306 -0.7609 -0.0030
N3 -0.4787 0.6638 -0.0227   0.4354 0.6931 -0.0195
C4 -1.4173 -0.4471 0.0055   1.4429 -0.3559 0.0022
H5 1.4544 1.3864 0.0211   -1.5398 1.2908 0.0294
H6 -0.8152 1.6155 0.0633   0.7106 1.6638 0.0713
H7 -2.4265 -0.0682 -0.2122   2.4257 0.0877 -0.2142
H8 -1.1346 -1.1885 -0.7578   1.2073 -1.1098 -0.7648
H9 -1.4221 -0.9524 0.9868   1.4809 -0.8650 0.9809
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2264 1.3622 2.4483 1.1153 2.0512 3.3372 2.6889 2.8519
O2 1.2264 2.2876 2.8029 2.0626 3.1704 3.8568 2.6726 2.9805
N3 1.3622 2.2876 1.4546 2.0643 1.0131 2.0894 2.0980 2.1264
C4 2.4483 2.8029 1.4546 3.4072 2.1495 1.0998 1.1010 1.1038
H5 1.1153 2.0626 2.0643 3.4072 2.2815 4.1512 3.7336 3.8311
H6 2.0512 3.1704 1.0131 2.1495 2.2815 2.3468 2.9392 2.7957
H7 3.3372 3.8568 2.0894 1.0998 4.1512 2.3468 1.7949 1.7968
H8 2.6889 2.6726 2.0980 1.1010 3.7336 2.9392 1.7949 1.7838
H9 2.8519 2.9805 2.1264 1.1038 3.8311 2.7957 1.7968 1.7838
Maximum atom distance is 4.1512Å 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 120.694 O2 C1 N3 124.109
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.698 O2 C1 H5 123.409
N3 C1 H5 112.479 N3 C4 H7 108.977
N3 C4 H8 109.583 N3 C4 H9 111.699
C4 N3 H6 120.101 H7 C4 H8 109.288
H7 C4 H9 109.252 H8 C4 H9 108.009

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