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Geometry for CH3CONH2 (Acetamide) 1A' C1

1910171554
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) INChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N

PBEPBE/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3763 -0.2942 -0.0001   1.3433 -0.4200 -0.0013
C2 0.0813 0.1558 0.0016   -0.0666 0.1626 0.0018
N3 0.9929 -0.8727 -0.0294   -1.0692 -0.7773 -0.0294
O4 0.4179 1.3289 0.0039   -0.2935 1.3617 0.0052
H5 -2.0160 0.5897 -0.0609   2.0618 0.4012 -0.0618
H6 -1.5856 -0.9550 -0.8530   1.4902 -1.0966 -0.8548
H7 -1.6136 -0.8499 0.9181   1.5289 -0.9959 0.9163
H8 1.9744 -0.6386 0.0634   -2.0248 -0.4537 0.0643
H9 0.7177 -1.8376 0.0983   -0.8841 -1.7637 0.0974
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5255 2.4390 2.4194 1.0928 1.0990 1.0992 3.3689 2.6032
C2 1.5255 1.3747 1.2204 2.1426 2.1778 2.1735 2.0539 2.0948
N3 2.4390 1.3747 2.2757 3.3456 2.7081 2.7735 1.0132 1.0115
O4 2.4194 1.2204 2.2757 2.5445 3.1567 3.1160 2.5094 3.1821
H5 1.0928 2.1426 3.3456 2.5445 1.7885 1.7868 4.1770 3.6593
H6 1.0990 2.1778 2.7081 3.1567 1.7885 1.7744 3.6896 2.6437
H7 1.0992 2.1735 2.7735 3.1160 1.7868 1.7744 3.6944 2.6613
H8 3.3689 2.0539 1.0132 2.5094 4.1770 3.6896 3.6944 1.7373
H9 2.6032 2.0948 1.0115 3.1821 3.6593 2.6437 2.6613 1.7373
Maximum atom distance is 4.1770Å between atoms H5 and H8.
picture of Acetamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 N3 114.386 C1 C2 O4 123.170
N3 C2 O4 122.429
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 108.709 C2 C1 H6 111.115
C2 C1 H7 110.759 C2 N3 H8 117.865
C2 N3 H9 122.034 H5 C1 H6 109.374
H5 C1 H7 109.208 H6 C1 H7 107.648
H8 N3 H9 118.190

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