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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/CEP-121G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8682 0.4444 0.0104   0.8949 -0.3878 0.0097
O2 1.3958 -0.6744 -0.0013   1.3497 0.7626 -0.0008
N3 -0.4849 0.6633 -0.0448   -0.4414 -0.6930 -0.0454
C4 -1.4354 -0.4510 0.0105   -1.4614 0.3579 0.0115
H5 1.4517 1.3831 0.0378   1.5375 -1.2871 0.0358
H6 -0.8136 1.6075 0.1176   -0.7087 -1.6566 0.1158
H7 -2.3860 -0.1257 -0.4178   -2.3893 -0.0272 -0.4170
H8 -1.0293 -1.2745 -0.5780   -1.1092 1.2065 -0.5762
H9 -1.5920 -0.7987 1.0380   -1.6397 0.6936 1.0394
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2371 1.3718 2.4715 1.1056 2.0476 3.3314 2.6271 2.9418
O2 1.2371 2.3084 2.8401 2.0587 3.1785 3.8441 2.5640 3.1659
N3 1.3718 2.3084 1.4656 2.0677 1.0129 2.0918 2.0822 2.1296
C4 2.4715 2.8401 1.4656 3.4205 2.1530 1.0922 1.0907 1.0960
H5 1.1056 2.0587 2.0677 3.4205 2.2778 4.1488 3.6875 3.8762
H6 2.0476 3.1785 1.0129 2.1530 2.2778 2.4007 2.9726 2.6913
H7 3.3314 3.8441 2.0918 1.0922 4.1488 2.4007 1.7849 1.7896
H8 2.6271 2.5640 2.0822 1.0907 3.6875 2.9726 1.7849 1.7762
H9 2.9418 3.1659 2.1296 1.0960 3.8762 2.6913 1.7896 1.7762
Maximum atom distance is 4.1488Å 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 121.123 O2 C1 N3 124.376
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 117.535 O2 C1 H5 122.887
N3 C1 H5 112.715 N3 C4 H7 108.859
N3 C4 H8 108.194 N3 C4 H9 111.669
C4 N3 H6 119.490 H7 C4 H8 109.710
H7 C4 H9 109.740 H8 C4 H9 108.640

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