Cambridge Crystallographic Structure

Since this structural data consists of atomic parameters which describe the interatomic vectors in three dimensions, the simultaneous evolvement of computer graphics has played an important role in the way the data can be used. The data base which is the particular source for the hydrogen bond data analyzed in this monograph is the Cambridge Crystallographic Structure Data Base [39, 40]. There is also a vast amount of structural information in the protein and nucleic acid data... 

Average from the Cambridge Crystallographic Structural Database., 4-hydroxy-6-methylpyrimidine-2-thionate = Me(OH)pymt. 

Obtained from the Cambridge Crystallographic Structural Database. 

CCSD, Cambridge Crystallographic Structural Data Centre, Cambridge, U.K. 

An example of the Li—F interaction in the solid state of a fluoroaromatic compound is shown in Scheme 3.2. The two Li—F interatomic lengths are in the range of 2.27-2.39 A, both of which are in between dmm and dmax (see Table 3.3). A bond length threshold up to which CF-metal interactions are credible is summarized in Table 3.3 [10]. The threshold was used in a search for CF-metal interactions in the Cambridge Crystallographic Structure Database. 

CSD Cambridge Crystallographic Data Centre organic, me-talorganic crystal structures numeric 257000 experi- ments Cambridge Crystallographic Data Centre commercial CD-ROM periodi- cally www.ccdc.ca- rn.ac.uk... 

Another recent database, still in evolution, is the Linus Pauling File (covering both metals and other inorganics) and, like the Cambridge Crystallographic Database, it has a "smart software part which allows derivative information, such as the statistical distribution of structures between symmetry types, to be obtained. Such uses are described in an article about the file (Villars et al. 1998). The Linus Pauling File incorporates other data besides crystal structures, such as melting temperature, and this feature allows numerous correlations to be displayed. 

Figure 15 Structure of TgPhg. (Redrawn using data for structure OPSlOY from the Cambridge Crystallographic Data Centre.) H atoms are omitted for clarity.

Cambridge Structural Database System (2000), v5.21. Cambridge Crystallographic Data Centre, Cambridge... 

Fig. 3. The hydrogen-bonded chain structure of (2-morpholinoethyDdiphenylsilanol with the hydrogen atoms omitted for clarity. Drawn using coordinates taken from the Cambridge Crystallographic Database. 

Fig. 14. The molecular structure of l,3-bis(diphenylhydroxysilyl)-2,2-dimethyl-4,4-diphenylcyclodisilazane, showing the orientation of the ortho -CH groups of one of the aromatic rings with respect to the SiO groups. Other hydrogen atoms have been omitted for clarity. Drawn using coordinates taken from the Cambridge Crystallographic Database.

Cambridge Structural Database (CSD). Cambridge Crystallographic Data Centre, University Chemical Laboratory, Cambridge, UK. Electronic database of crystal structures of organic and metallorganic compounds. www.ccdc.cam.ac.uk. 

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