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Release 22May 2022
NIST Standard Reference Database 101
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II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3CONH2 (Acetamide)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
0.38167 0.31273 0.16966
Rotational Constants from 2001Sue/Gol:188
Calculated rotational constants for CH3CONH2 (Acetamide).

Point Group C1

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCC 1.519 1 2 1973Kit/Kuc:3048
rCN 1.380 2 3 1973Kit/Kuc:3048
rCO 1.220 2 4 1973Kit/Kuc:3048
rCH 1.124 1 5 1973Kit/Kuc:3048
rNH 1.022 3 8 1973Kit/Kuc:3048
aNCO 122 3 2 4 1973Kit/Kuc:3048
aHCC 109.8 2 1 5 1973Kit/Kuc:3048
aCCN 115.1 1 2 3 1973Kit/Kuc:3048
aCCO 122.9 1 2 4 1973Kit/Kuc:3048 derived from aCCN and aNC=O
picture of Acetamide

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-C 1
C-N 1
C=O 1
H-C 3
H-N 2

Atom x (Å) y (Å) z (Å)
C1 -1.3674 -0.3302 0.0013
C2 0.0720 0.1552 -0.0019
N3 1.0259 -0.8416 -0.0326
O4 0.3726 1.3376 0.0057
H5 -2.0656 0.5484 -0.0612
H6 -1.5426 -1.0080 -0.8780
H7 -1.5719 -0.9088 0.9430
H8 2.0050 -0.5675 0.0710
H9 0.7853 -1.8244 0.1113

Atom - Atom Distances (Å)

  C1 C2 N3 O4 H5 H6 H7 H8 H9
C11.51902.44752.41021.12401.12401.12403.38142.6227
C21.51901.38001.22002.17432.17432.17432.06492.1073
N32.44751.38002.27533.38972.70912.77571.02201.0220
O42.41021.22002.27532.56363.15453.11542.50963.1905
H51.12402.17433.38972.56361.83391.83724.22283.7132
H61.12402.17432.70913.15451.83391.82393.69862.6579
H71.12402.17432.77573.11541.83721.82393.69742.6621
H83.38142.06491.02202.50964.22283.69863.69741.7519
H92.62272.10731.02203.19053.71322.65792.66211.7519

Calculated geometries for CH3CONH2 (Acetamide).
References
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squib reference DOI
1973Kit/Kuc:3048 Kitano, M., Kuchitsu, K., Molecular Structure of Acetamide as Studied by Gas Electron Diffraction, Bulletin of the Chem. Soc. Of Japan, Vol. 46, pgs. 3048-3051 10.1246/bcsj.46.3048
2001Sue/Gol:188 RD Suenram, GY Golubiantikov, II Leonov, JT Hougen, J Ortigoso, I Kleiner, GT Fraser "Reinvestigation of the Microwave Spectrum of Acetamide" J. Mol. Spect. 208, 188-193, 2001 10.1006/jmsp.2001.8377

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