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Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
CH3SOCH3 Dimethyl sulfoxide 96.6 93.6 3.0
C2H6O2S Dimethyl sulfone 103.3 100.2 3.1
CH3SCH3 Dimethyl sulfide 98.9 97.6 1.3
C4H4S Thiophene 92.2 89.2 3.0
C3H6S Thietane 76.8 73.3 3.5
C3H6S3 1,3,5-Trithiane 99.4 97.1 2.3
C2H4S Thiirane 48.3 44.7 3.6
CH3SCH2CH3 Ethane, (methylthio)- 99.0 97.9 1.1
C5H10S 2H-Thiopyran, tetrahydro- 97.6 95.5 2.1
C4H6S Thiophene, 2,5-dihydro- 96.5 92.5 4.0

MP2/3-21G for aCSC

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


Differences greater than 5.5 are in the 5.5 bin. Differences less than -0.5 are in the -0.5 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.5 0 0.5 1 1.5 2 2.5 3 3.5 4 4.5 5 5.5
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference CH3SCH2CH3 Ethane, (methylthio)- 1.1
Most positive difference C4H6S Thiophene, 2,5-dihydro- 4.0