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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
C3H7NO dimethylformamide 120.8 120.8 0.0
C3H7NO dimethylformamide 122.3 121.5 0.8
C3H7NO dimethylformamide 113.9 117.7 -3.8
N(CH3)3 Trimethylamine 110.9 111.8 -0.9
C4H5N Pyrrole 109.8 110.1 -0.3
C5H5N Pyridine 116.7 117.2 -0.5
C5H11N Piperidine 109.8 112.0 -2.2
HCONHCH3 N-methylformamide 121.4 121.6 -0.2
C4H9N Pyrrolidine 105.2 106.5 -1.3
CH3NHCH3 Dimethylamine 112.2 113.8 -1.6
C2H5N Aziridine 60.3 59.4 0.8
C3H3NO Oxazole 103.9 106.2 -2.3
C4H4N2 Pyrazine 115.7 116.1 -0.4
C2H6N2O2 Dimethylnitroamine 127.6 121.6 6.0

MP2/SDD for aCNC

Histogram of angle differences (in degrees) vs number of species


Differences greater than 8 are in the 8 bin. Differences less than -4 are in the -4 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-4 -3 -2 -1 0 1 2 3 4 5 6 7 8
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H7NO dimethylformamide -3.8
Most positive difference C2H6N2O2 Dimethylnitroamine 6.0