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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
NH2CONH2 Urea 122.6 123.3 -0.7
CH3CONH2 Acetamide 122.0 122.3 -0.3
C3H7NO dimethylformamide 123.5 125.9 -2.4
HNCO Isocyanic acid 172.6 172.0 0.6
HCONHCH3 N-methylformamide 124.6 124.8 -0.2
C3H3NO Oxazole 115.0 114.9 0.1

BLYP/6-311G* for aNCO

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


Differences greater than 3.5 are in the 3.5 bin. Differences less than -2.5 are in the -2.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-2.5 -2 -1.5 -1 -0.5 0 0.5 1 1.5 2 2.5 3 3.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference C3H7NO dimethylformamide -2.4
Most positive difference HNCO Isocyanic acid 0.6