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2-(4-chlorophenyl)-5-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbaldehyde: a chain of rings built from N-H...O and C-H...O hydrogen bonds. 2008

Jorge Trilleras, and Jairo Quiroga, and John N Low, and Justo Cobo, and Christopher Glidewell
Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.

In the title compound, C20H13ClN4O4, the six-membered heterocyclic ring is planar and the molecular dimensions provide evidence for polarization of the molecular-electronic structure. Molecules are linked into a chain of rings by a combination of N-H...O and C-H...O hydrogen bonds, but the nitro group does not participate in the supramolecular aggregation. This study illustrates the marked influence of peripheral substituents on the pattern of hydrogen-bonded aggregation in compounds of this type.

UI MeSH Term Description Entries
D011743 Pyrimidines A family of 6-membered heterocyclic compounds occurring in nature in a wide variety of forms. They include several nucleic acid constituents (CYTOSINE; THYMINE; and URACIL) and form the basic structure of the barbiturates.
D006860 Hydrogen Bonding A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds. Hydrogen Bonds,Bond, Hydrogen,Hydrogen Bond
D015394 Molecular Structure The location of the atoms, groups or ions relative to one another in a molecule, as well as the number, type and location of covalent bonds. Structure, Molecular,Molecular Structures,Structures, Molecular

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