• Gautam R Desiraju

      Articles written in Journal of Chemical Sciences

    • Organic reactions in inorganic matrices—Oxidation of hydroquinone top-benzoquinone on solid MoO3 surfaces

      Gautam R Desiraju B Prabhakara Shastry

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      Hydroquinone can be complexed on MoO3 surfaces and is converted top-benzoquinone in a mild solid phase redox reaction while MoO3 is reduced to Mo(V) and Mo(III) species.

    • Organic solid state chemistry—Some perspectives

      Gautam R Desiraju

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      Several strategies towards an understanding of the crystal chemistry of organic solids have been reviewed. The crystal structures of most organic compounds are the result of optimisation of rather weak intermolecular forces and this is illustrated for some alkoxy and chloro-aromatic compounds. Co-crystallisation of different organic molecules is the logical outcome of such methods of ‘crystal engineering’. In the resulting complexes, the forces between the component molecules can vary in magnitude and directionality and three distinct situations are described. The role of packing calculations as an alternative method for the structure determination of a reactive organic solid is described. Thermal reactions are exemplified by a case of solid state co-operative tautomerism and one of a base-catalysed interlamellar dehydration in a layered structure.

    • Clathrate compound of a new host material, 3-hydroxy-6-(4′-nitro)phenylazopyridine

      P Ramachandra T Siva Rama Krishna Gautam R Desiraju

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      The compound 3-hydroxy-6-(4′-nitro)phenylazopyridine (1) was observed to incorporate several organic solvents of crystallisation, forming stable clathrates. These clathrates decompose upon heating and the host material is chemically transformed. Single crystal X-ray diffraction studies on the ethanol clathrate lead to a reasonable model for the host structure. But the guest molecules are severely disordered. Alternatively, the compound forms twinned crystals. The chemically closely related compound2 does not form clathrates.

    • Towards supramolecular inorganic chemistry

      Gautam R Desiraju

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      Structural interest in organometallic and cluster compounds has been largely confined to their molecular structure and stereochemistry; their crystal structures and molecular packings have not been studied seriously. However, the extended structure contains information on intermolecular interactions which may be utilized for supramolecular assembly.

    • Crystal engineering: A brief overview

      Gautam R Desiraju

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      Crystal structures of organic and metal-organic compounds have been determined in enormous numbers over the past century, and at the time of writing this review, the Cambridge Structural Database has just crossed the half million mark. The possibility of designing a particular crystal packing is, however, of more recent origin and the subject of crystal engineering has addressed this possibility, more or less systematically, during the past 30 years. Crystal engineering demands a detailed and thorough knowledge of intermolecular interactions, which act as the supramolecular glue that binds molecules into crystals. It also requires systematic strategies for the design of a crystal, the architectural blueprint as it were. Finally, this enterprise needs to be geared towards a useful property in that the crystal that is being designed is a functional one. All these features of the subject are directly or indirectly connected with the fact that there is a very large database of known crystal structures that is available to the crystal engineer. This review attempts to briefly survey the current scenario in this expanding subject.

    • Foreword

      Gautam R Desiraju

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