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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

G4
This model chemistry uses a geometry from B3LYP/6-31G(2df,p)


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8665 0.4335 0.0042   -0.8927 0.3766 0.0108
O2 1.3733 -0.6723 -0.0002   -1.3270 -0.7596 -0.0069
N3 -0.4691 0.6578 -0.0198   0.4256 0.6869 -0.0121
C4 -1.4245 -0.4388 0.0046   1.4498 -0.3459 -0.0029
H5 1.4561 1.3689 0.0176   -1.5414 1.2717 0.0368
H6 -0.7990 1.6055 0.0563   0.6937 1.6529 0.0755
H7 -2.4205 -0.0503 -0.2149   2.4183 0.1089 -0.2188
H8 -1.1510 -1.1793 -0.7504   1.2231 -1.0930 -0.7668
H9 -1.4401 -0.9391 0.9789   1.4998 -0.8563 0.9650
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2165 1.3545 2.4514 1.1058 2.0371 3.3297 2.6909 2.8556
O2 1.2165 2.2725 2.8075 2.0430 3.1481 3.8505 2.6817 2.9908
N3 1.3545 2.2725 1.4546 2.0527 1.0063 2.0850 2.0913 2.1190
C4 2.4514 2.8075 1.4546 3.4009 2.1385 1.0915 1.0923 1.0954
H5 1.1058 2.0430 2.0527 3.4009 2.2678 4.1348 3.7256 3.8261
H6 2.0371 3.1481 1.0063 2.1385 2.2678 2.3334 2.9206 2.7816
H7 3.3297 3.8505 2.0850 1.0915 4.1348 2.3334 1.7814 1.7823
H8 2.6909 2.6817 2.0913 1.0923 3.7256 2.9206 1.7814 1.7697
H9 2.8556 2.9908 2.1190 1.0954 3.8261 2.7816 1.7823 1.7697
Maximum atom distance is 4.1348Å 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 121.500 O2 C1 N3 124.140
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 118.539 O2 C1 H5 123.155
N3 C1 H5 112.702 N3 C4 H7 109.124
N3 C4 H8 109.577 N3 C4 H9 111.626
C4 N3 H6 119.567 H7 C4 H8 109.322
H7 C4 H9 109.174 H8 C4 H9 107.985

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