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Listing of experimental geometry data for CH3CHClCH2CH3 (Butane, 2-chloro-)

No experimental rotational constants available.
Calculated rotational constants for CH3CHClCH2CH3 (Butane, 2-chloro-).

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
rCH 1.110 1 2 1976Hellwege(II/7) average
rCC 1.534 1 5 1976Hellwege(II/7) average
rCCl 1.781 5 7 1976Hellwege(II/7)
aCCC 111.4 1 5 8 1976Hellwege(II/7) average
aCCCl 112.4 1 5 7 1976Hellwege(II/7) average
aHCC 110.6 2 1 5 1976Hellwege(II/7) average
picture of Butane, 2-chloro-

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 9
C-C 3
C-Cl 1
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)
 

Calculated geometries for CH3CHClCH2CH3 (Butane, 2-chloro-).
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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