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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

HF/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3593 -0.3105 0.0002   1.3286 -0.4230 0.0026
C2 0.0777 0.1529 -0.0013   -0.0647 0.1589 -0.0016
N3 1.0045 -0.8354 -0.0307   -1.0707 -0.7485 -0.0309
O4 0.3839 1.3045 0.0048   -0.2736 1.3320 0.0023
H5 -2.0072 0.5487 -0.0539   2.0461 0.3790 -0.0519
H6 -1.5473 -0.9635 -0.8436   1.4625 -1.0908 -0.8399
H7 -1.5701 -0.8644 0.9074   1.4911 -0.9911 0.9109
H8 1.9574 -0.5826 0.0692   -1.9994 -0.4168 0.0673
H9 0.7536 -1.7816 0.1044   -0.9000 -1.7122 0.1060
Atom - Atom Distances (Å)
  C1 C2 N3 O4 H5 H6 H7 H8 H9
C1 1.5099 2.4215 2.3763 1.0775 1.0834 1.0837 3.3286 2.5767
C2 1.5099 1.3551 1.1916 2.1228 2.1439 2.1391 2.0197 2.0519
N3 2.4215 1.3551 2.2283 3.3146 2.6812 2.7402 0.9910 0.9882
O4 2.3763 1.1916 2.2283 2.5084 3.0973 3.0556 2.4579 3.1098
H5 1.0775 2.1228 3.3146 2.5084 1.7669 1.7641 4.1247 3.6163
H6 1.0834 2.1439 2.6812 3.0973 1.7669 1.7539 3.6416 2.6196
H7 1.0837 2.1391 2.7402 3.0556 1.7641 1.7539 3.6366 2.6240
H8 3.3286 2.0197 0.9910 2.4579 4.1247 3.6416 3.6366 1.6995
H9 2.5767 2.0519 0.9882 3.1098 3.6163 2.6196 2.6240 1.6995
Maximum atom distance is 4.1247Å 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 115.282 C1 C2 O4 122.760
N3 C2 O4 121.950
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 109.121 C2 C1 H6 110.452
C2 C1 H7 110.047 C2 N3 H8 117.997
C2 N3 H9 121.450 H5 C1 H6 109.707
H5 C1 H7 109.430 H6 C1 H7 108.067
H8 N3 H9 118.333

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