The function of the OChemDb ‘Distance’ main page is to search for bond distances. A chemical-bond distance between two elements can be sought in the database by selecting and evaluating all the crystal structures that contain it.
The search can be optionally limited to organic or inorganic structures.
OChemDb provides statistics by histogram plots. Moreover,numerical values for mean, median, standard deviation,quartiles, skewness, kurtosis, minimum and maximum are evaluated by considering the detected structures related to the desired bond. The chemical bond to be searched for and inspected can be selected in one of the following ways.
A table makes available all the chemical bonds identified and stored in the database (the current number is 2501), each one specified by the two bonded atomic species (e.g.C—H, C—C,…) (Fig. 1). For each chemical bond, the table shows the number of bonds contained in the database, the number of crystal structures containing it, the corresponding minimum- and maximum-distance values, and the mean and standard-deviation values.
After the desired bond in the table has been selected (alternatively, it can be typed in the ‘Search’ field) a non-default advanced search can be optionally carried out by specifying the first neighbouring bonded atoms and/or the oxidation numbers of the two bonded atoms and/or the bond-distancerange (minimum and maximum values).