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Listing of experimental geometry data for C4H5N (Cyclopropanecarbonitrile)

Rotational Constants (cm-1)


See section I.F.4 to change rotational constant units
A B C
     
Rotational Constants from
Calculated rotational constants for C4H5N (Cyclopropanecarbonitrile).

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
rCC 1.513 9 10 1976Hellwege(II/7) opp C with extra
rCC 1.472 6 8 1976Hellwege(II/7) towards C#N
rCH 1.107 5 6 1976Hellwege(II/7)
rCN 1.157 7 8 1976Hellwege(II/7)
aHCH 114.6 2 10 3 1976Hellwege(II/7)
aHCC 119.6 5 6 8 1976Hellwege(II/7) from C#N
picture of Cyclopropanecarbonitrile

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 5
C-C 4
C#N 1
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for C4H5N (Cyclopropanecarbonitrile).
References
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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.  

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