The typical crystal structures of a few representative α-aryl-α-hydroxyphosphonates

The crystal structures of seven α-aryl-α-hydroxyphosphonates synthesized by the Pudovik reaction of substituted benzaldehydes and dialkyl phosphites, namely dimethyl [(hydroxy)(phenyl)methyl]phosphonate, C9H13O4P, dimethyl [(3,4-dimethoxyphenyl)(hydroxy)methyl]phosphonate, C11H17O6P, dimethyl (1-hydroxy-1-phenylethyl)phosphonate, C10H15O4P, dimethyl [1-hydroxy-1-(4-nitrophenyl)ethyl]phosphonate, C10H14NO6P, dibenzyl [hydroxy(2-nitrophenyl)methyl]phosphonate, C21H20NO6P, dibenzyl [(3-chlorophenyl)(hydroxy)methyl]phosphonate, C21H20ClO4P, and dibenzyl [hydroxy(4-methylphenyl)methyl]phosphonate, C22H23O4P, were studied to gain a better understanding of the organization in this type of molecule in the solid state. The crystals obtained for this series of compounds show a balance between C—OH...O=P chain-linked packing and the dimeric types of hydrogen-bond bridges of intermolecular pairs of such functions. The description is based on primary graph-set descriptors. Using graph-set descriptors one level deeper (i.e. secondary graph sets of the C—H...O type) revealed a similarity in the graph-set descriptors, suggesting a fine interplay of substituent- and shape-dependent effects on strong–weak interactions. It seems that the formation of chains or dimers is governed not only by the presence of a tertiary Cα atom, but also by the nature and crowding of the ortho substituents of the α-aryl group.

Extension of Space Syntax Methods to Generic Urban Variables

We studied generalization of a method for extending configurational studies to variables that are not exclusively geographical, in order to allow investigation of generic relationships in the built environment. We observed a number of limitations of the classical approach of configurational studies and we considered how a complex analytical method could be implemented in the study of non-topological variables, such as land use, noise pollution and financial or property rents. In order to do this we established a system of relationships based on a labeled primary graph. Categorization of the labels of the links was performed on a generic variable, specifically, the predominant use of roads. The graph was then contracted using an optimization algorithm, which we describe. The algorithm allows the network to be reduced to a more streamlined system that can better analyze the relationships between the different categories. Application of the method showed that it is faster to identify weaknesses in urban networks, and then take measures to resolve them. The case study concerns the pedestrianization of the Colosseum area in Rome.