SWT: 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one

SWT is a Ligand Of Interest in 7B4X designated by the Author


Created with Raphaël 2.3.0WorseGeometryBetterWorseExperiment Data FittingBetter7B4X_SWT_A_512Click to see a 3Delectron density viewof this ligand instance
Created with Raphaël 2.3.0
Best-fitted instance in this entry
Created with Raphaël 2.3.0
Other instances in this entry
IdentifierRanking for goodness of fit Ranking for geometry Real space R factor Real space correlation coefficient RMSZ-bond-length RMSZ-bond-angleOutliers of bond length Outliers of bond angle Atomic clashesStereochemical errorsModel completenessAverage occupancy
7B4X_SWT_A_512 76% 8% 0.103 0.943.66 1.04 3 100100%1