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18 10 26 16 45

PM3 for rCN

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.550 are in the 0.550 bin. Differences less than -0.050 are in the -0.050 bin.

histogram chart 16
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.050 0.000 0.050 0.100 0.150 0.200 0.250 0.300 0.350 0.400 0.450 0.500 0.550
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ICN Cyanogen iodide-0.006
Most positive difference CH3SO2NH2 methanesulfonamide0.548

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ICN Cyanogen iodide 1.160 -0.006
CN- cyanide anion 1.177 -0.005
CH2NN diazomethane 1.300 -0.005
BrCN Cyanogen bromide 1.158 -0.003
CH3NH2 methyl amine 1.471 -0.003
CH3CH2NH2 Ethylamine 1.475 -0.001
CH(CN)3 tricyanomethane 1.158 -0.001
CH2NH Methanimine 1.273 0.003
NH2CN cyanamide 1.159 0.004
HNC hydrogen isocyanide 1.173 0.005
CHSNH2 thioformamide 1.358 0.006
C2H5CN ethyl cyanide 1.153 0.006
CH2N2 diazirine 1.482 0.010
C2H2N2O Furazan 1.303 0.018
CH3CSNH2 Ethanethioamide 1.356 0.024
CH3NO2 Methane, nitro- 1.489 0.025
HNCNH diiminomethane 1.224 0.026
C4H5N Pyrrole 1.370 0.027
NH2CN cyanamide 1.347 0.044
CH3SO2NH2 methanesulfonamide 1.207 0.548