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Compare Experimental Geometries - experimental data

Species Name
C2H5I Ethyl iodide
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCI 2.151 1988Ina/Fuj:456-468   1 3   
rCC 1.521 1988Ina/Fuj:456-468   1 2   
rHC 1.086 1988Ina/Fuj:456-468   1 4   
rHC 1.093 1988Ina/Fuj:456-468 ass. 2 6   
rHC 1.093 1988Ina/Fuj:456-468   2 7   
aCCI 111.6 1988Ina/Fuj:456-468   2 1 3  
aHCI 104.8 1988Ina/Fuj:456-468   3 1 4  
aHCC 112.6 1988Ina/Fuj:456-468   2 1 4  
aHCH 109.9 1988Ina/Fuj:456-468   4 1 5  
aHCC 108.6 1988Ina/Fuj:456-468   1 2 6  
aHCC 110.8 1988Ina/Fuj:456-468   1 2 7  
aHCH 109.3 1988Ina/Fuj:456-468   6 2 7  
aHCH 107.9 1988Ina/Fuj:456-468   7 2 8  

picture of
References
squibreference
1988Ina/Fuj:456-468 T INAGUSA, M FUJITAKE, M HAYASHI "Microwave Spectrum, rs Structure, Dipole Moment, and Nuclear Quadrupole Coupling Constant Tensor of Ethyl Iodide" JOURNAL OF MOLECULAR SPECTROSCOPY 128,456-468 (1988)