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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

MP2/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.8660 0.4518 -0.0001   -0.8926 0.3967 0.0024
O2 1.4082 -0.6772 0.0000   -1.3631 -0.7640 -0.0021
N3 -0.4931 0.6749 0.0001   0.4499 0.7044 0.0027
C4 -1.4398 -0.4617 -0.0000   1.4659 -0.3707 -0.0028
H5 1.4364 1.3937 -0.0001   -1.5208 1.3011 0.0067
H6 -0.8438 1.6250 -0.0000   0.7405 1.6746 0.0066
H7 -2.0722 -0.4520 -0.8936   2.0956 -0.3176 -0.8967
H8 -0.8205 -1.3614 -0.0004   0.9040 -1.3074 -0.0068
H9 -2.0718 -0.4524 0.8938   2.0968 -0.3257 0.8906
Atom - Atom Distances (Å)
  C1 O2 N3 C4 H5 H6 H7 H8 H9
C1 1.2524 1.3773 2.4802 1.1012 2.0737 3.2013 2.4763 3.2012
O2 1.2524 2.3330 2.8562 2.0711 3.2205 3.6003 2.3314 3.6000
N3 1.3773 2.3330 1.4793 2.0590 1.0128 2.1359 2.0624 2.1359
C4 2.4802 2.8562 1.4793 3.4228 2.1702 1.0947 1.0922 1.0947
H5 1.1012 2.0711 2.0590 3.4228 2.2919 4.0639 3.5615 4.0639
H6 2.0737 3.2205 1.0128 2.1702 2.2919 2.5732 2.9865 2.5734
H7 3.2013 3.6003 2.1359 1.0947 4.0639 2.5732 1.7864 1.7873
H8 2.4763 2.3314 2.0624 1.0922 3.5615 2.9865 1.7864 1.7865
H9 3.2012 3.6000 2.1359 1.0947 4.0639 2.5734 1.7873 1.7865
Maximum atom distance is 4.0639Å 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 120.469 O2 C1 N3 124.976
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 N3 H6 119.587 O2 C1 H5 123.152
N3 C1 H5 111.873 N3 C4 H7 111.281
N3 C4 H8 105.665 N3 C4 H9 111.279
C4 N3 H6 119.945 H7 C4 H8 109.546
H7 C4 H9 109.440 H8 C4 H9 109.553

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