return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Experimental Geometries OR Experimental > Geometry > Experimental Geometries

Listing of experimental geometry data for C2H6N2O2 (Dimethylnitroamine)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C2H6N2O2 (Dimethylnitroamine).

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
rNO 1.223 1 11 1976Hellwege(II/7)
rNN 1.382 11 12 1976Hellwege(II/7)
rCN 1.460 6 12 1976Hellwege(II/7)
rCH 1.121 3 6 1976Hellwege(II/7)
aNNO 114.8 1 11 12 1976Hellwege(II/7)
aHCN 101.91 3 6 12 1976Hellwege(II/7)
aCNC 127.61 6 12 10 1976Hellwege(II/7)
aCNN 116.2 6 12 11 1976Hellwege(II/7)
aONO 130.4 1 11 2 1976Hellwege(II/7)
picture of Dimethylnitroamine

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 6
C-N 2
N-N 1
N=O 2
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C2H6N2O2 (Dimethylnitroamine).
References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.  

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext