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II.A.3. (XII.A.1.)

Listing of experimental geometry data for C3H7NO (dimethylformamide)

No experimental rotational constants available.
Calculated rotational constants for C3H7NO (dimethylformamide).

Point Group Cs

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
rCH 1.112 4 7 1995Kuchitsu(II/23
rCN 1.391 1 3 1995Kuchitsu(II/23
rCN 1.453 3 4 1995Kuchitsu(II/23
rCO 1.224 1 2 1995Kuchitsu(II/23
aCNC 120.8 1 3 4 1995Kuchitsu(II/23
aCNC 122.3 1 3 5 1995Kuchitsu(II/23
aCNC 113.9 4 3 5 1995Kuchitsu(II/23
aNCO 123.5 2 1 3 1995Kuchitsu(II/23
aNCH 117 3 1 6 1995Kuchitsu(II/23
dCNCO -16.3 2 1 3 4 1995Kuchitsu(II/23
dCNCO -168.6 2 1 3 5 1995Kuchitsu(II/23
aNCH 110.1 3 4 7 1995Kuchitsu(II/23
picture of dimethylformamide

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C-N 3
C=O 1
H-C 7

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C3H7NO (dimethylformamide).


References
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